Re: [Jmol-users] JSmol submenus not working in iOS

2016-10-20 Thread Philip Bays
My observation (iPad) is that it opens but none of the links work and you close 
it by trying to drag it.


> On Oct 20, 2016, at 10:39 AM, Otis Rothenberger <osrot...@icloud.com> wrote:
> 
> Nick and Bob,
> 
> I keep my eyes on iPad/Jmol performance pretty closely. I don’t think this 
> ever worked. You can’t even touch-close the console if you open it with the 
> console command. I just assumed this was an iPad thing. That’s why I include 
> my own text field for Jmol Script.
> 
> JQuery does have mobile touch events, but I have not had time to play around 
> with them on iPad. I don’t even know if they work on iPad. I mention this 
> because touch and touch-hold are distinct events. Neither works with the Jmol 
> menu.
> 
> Otis
> 
> --
> Otis Rothenberger
> o...@chemagic.org <mailto:o...@chemagic.org>
> http://chemagic.org
> 
>> On Oct 20, 2016, at 8:51 AM, Robert Hanson <hans...@stolaf.edu 
>> <mailto:hans...@stolaf.edu>> wrote:
>> 
>> I tried Safari and Firefox on a desktop and found no problem. Is it the 
>> touch interface?
>> 
>> On Thu, Oct 13, 2016 at 1:47 PM, Greeves, Nick <ngree...@liverpool.ac.uk 
>> <mailto:ngree...@liverpool.ac.uk>> wrote:
>> I’ve tested an iPhone and an iPad running iOS 10.
>> 
>> Load a page running JSmol, click on the logo, choose any of the items with a 
>> submenu e.g. Console or Surfaces, nothing happens for me.
>> 
>> I’m pretty certain this used to work. Anyone else?
>> Best regards
>> Nick
>> -- 
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>> 
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>> 
>> 
>> If nature does not answer first what we want,
>> it is better to take what answer we get. 
>> 
>> -- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900
>> 
>> --
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Saint Mary's College
Notre Dame, IN 46556
pb...@saintmarys.edu


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Re: [Jmol-users] Write 2 PDB models?

2016-07-24 Thread Philip Bays
Bob:

Don’t know if you picked up in the midst of the rapamycin discussion last week 
that there is an issue loading spartan files. In my observation, a *.spardir 
does not load local file but does using drag and drop.  Trying to load as a 
local file give a “not atoms” error.   That is on a mac, using the latest 
jsmol.htm and Spartan 14.

Phil

> On Jul 24, 2016, at 2:13 PM, Robert Hanson <hans...@stolaf.edu> wrote:
> 
> I found  a solution. In the situation where there are models from multiple 
> files being saved, Jmol will give every atom a unique atom number. In this 
> way, the CONECT records at the end of the file will properly point to the 
> correct atoms.
> 
> Jmol.___JmolVersion="14.6.1_2016.07.24"
> 
> bug fix: write x.pdb for multimodel file does not work.
> 
> Will release later today.
> 
> Bob
> 
> On Sun, Jul 24, 2016 at 12:59 PM, Angel Herráez <angel.herr...@uah.es 
> <mailto:angel.herr...@uah.es>> wrote:
> Dear Bob, that makes sense. I did not realize.
> Additional problem is that saved pdf file (with 1st model empty) cannot be
> loaded back into Jmol, it hangs with the spinning cursor forever.
> 
> 
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> 
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> 
> If nature does not answer first what we want,
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> 
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Re: [Jmol-users] Rapamycin

2016-07-19 Thread Philip Bays
D yes not load anything for me??


> On Jul 19, 2016, at 3:03 PM, Angel Herráez <angel.herr...@uah.es> wrote:
> 
> a little fun:  browse rapamycin structures at PDB:
> 
> http://biomodel.uah.es/JSmol/rapamycin.htm
> 
> 
> 
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Re: [Jmol-users] Rapamycin

2016-07-19 Thread Philip Bays
Yea.   I had just found that.


> On Jul 19, 2016, at 12:38 PM, Angel Herráez <angel.herr...@uah.es> wrote:
> 
> Hi Phil
> 
> Going to PubChem, Compound Summary for CID 5284616
> has a "download" menu that offers no 3D structure but says "Protein-bound 
> 3D structures" -- their format are not helpful, but you can search in PDB for 
> rapamycin and will find this ligand as RAP
> 
> Hence, Jmol console
> load ==RAP
> and you have it!
> 
> Of course, you can browse the different proteins to check the actual "real" 
> 3D structure they bind
> 
> ·
> Dr. Angel Herráez
> Biochemistry and Molecular Biology,
> Dept. of Systems Biology, University of Alcalá
> E-28871 Alcalá de Henares  (Madrid), Spain
> 
> 
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Re: [Jmol-users] Rapamycin

2016-07-19 Thread Philip Bays
I have looked at it a little more.   Turns out that the exported structures do 
load into JSmol (…. 06.30) with the odd exception of the .spardir.  It will 
load by dropping it one the JSmol window, but will not with the load local 
file.   For that I get a “no atoms found” error.  That is true of the structure 
I was working with and with n-hexane.  A file reading glitch in the load 
sequence?



> On Jul 19, 2016, at 12:19 PM, Otis Rothenberger <osrot...@icloud.com> wrote:
> 
> Phil,
> 
> Resolver is string entry “smart,” so you can use load $IDENTIFIER from the 
> console or a script. You might need the InChI= in the IDENTIFIER string. When 
> I tried this, it was flat!
> 
> While CORINA docs state that there is no atom limit, you have to get through 
> CORINA’s ensemble creation front door. I suspect, that this step is failing 
> with the return of the 2D. Recall that CORINA needs to break molecules into 
> known ensembles which are then reassembled as 3D. FYI, CORINA DOCS.
> 
> I have no clue what’s going on in SPARTAN.
> 
> Otis
> 
> --
> Otis Rothenberger
> o...@chemagic.org
> http://chemagic.org
> 
>> On Jul 19, 2016, at 11:49 AM, Philip Bays <pb...@saintmarys.edu> wrote:
>> 
>> I was intrigued by the structure of the macrolide rapamycin after reading 
>> the article in C yesterday.  So I went after the 3-D structure.
>> 
>> I could not find it in any of the databases used by standard JSmol so I went 
>> off the Wikipedia and copied the smiles and inche strings.
>> 
>> Using the console I was able to load from the smiles string, though the 
>> image was flat.   Thinking Spartan would be faster at minimization, I 
>> exported from JSmol as a mol file which I loaded into Spartan and minimized. 
>>   It was fast, but the result was ridiculous; a part of the molecule 
>> threaded through the macrocycle.
>> 
>> I went back to JSmol and used the minimization function to begin a 3-D 
>> structure.  I did not let it go to completion, but exported it as a mol file 
>> to load into Spartan.  Spartan minimized it. I saved it as Spartan directory 
>> and as a mol file.  For the mol file I was told that there were 8 
>> unidentified atoms that were counted as dummy atoms.  Neither would load 
>> into JSmol.  It takes a while, but JSmol minimizes the structure to 
>> something reasonable.
>> 
>> I then tried to load the inche string from the JSmol console using load 
>> inche “string”.  Got a load error.  What is the proper syntax for this and 
>> what is going on with Spartan??
>> 
>> 
>> Phil
>> 
>> 
>> Philip Bays
>> Emeritus Professor of Chemistry
>> Saint Mary's College
>> Notre Dame, IN 46556
>> pb...@saintmarys.edu
>> 
>> 
>> 
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> 
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[Jmol-users] Rapamycin

2016-07-19 Thread Philip Bays
I was intrigued by the structure of the macrolide rapamycin after reading the 
article in C yesterday.  So I went after the 3-D structure.

I could not find it in any of the databases used by standard JSmol so I went 
off the Wikipedia and copied the smiles and inche strings.

Using the console I was able to load from the smiles string, though the image 
was flat.   Thinking Spartan would be faster at minimization, I exported from 
JSmol as a mol file which I loaded into Spartan and minimized.   It was fast, 
but the result was ridiculous; a part of the molecule threaded through the 
macrocycle.

I went back to JSmol and used the minimization function to begin a 3-D 
structure.  I did not let it go to completion, but exported it as a mol file to 
load into Spartan.  Spartan minimized it. I saved it as Spartan directory and 
as a mol file.  For the mol file I was told that there were 8 unidentified 
atoms that were counted as dummy atoms.  Neither would load into JSmol.  It 
takes a while, but JSmol minimizes the structure to something reasonable.

I then tried to load the inche string from the JSmol console using load inche 
“string”.  Got a load error.  What is the proper syntax for this and what is 
going on with Spartan??


Phil


Philip Bays
Emeritus Professor of Chemistry
Saint Mary's College
Notre Dame, IN 46556
pb...@saintmarys.edu



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Re: [Jmol-users] [n = {*}[0].molecule;show n] bug

2016-06-30 Thread Philip Bays
rs@lists.sourceforge.net>
>>> https://lists.sourceforge.net/lists/listinfo/jmol-users 
>>> <https://lists.sourceforge.net/lists/listinfo/jmol-users>
>>> 
>>> 
>>> 
>>> -- 
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>>> http://www.stolaf.edu/people/hansonr <http://www.stolaf.edu/people/hansonr>
>>> 
>>> 
>>> If nature does not answer first what we want,
>>> it is better to take what answer we get. 
>>> 
>>> -- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900
>>> 
>>> 
>>> 
>>> 
>>> -- 
>>> Robert M. Hanson
>>> Larson-Anderson Professor of Chemistry
>>> St. Olaf College
>>> Northfield, MN
>>> http://www.stolaf.edu/people/hansonr <http://www.stolaf.edu/people/hansonr>
>>> 
>>> 
>>> If nature does not answer first what we want,
>>> it is better to take what answer we get. 
>>> 
>>> -- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900
>>> 
>>> --
>>> Attend Shape: An AT Tech Expo July 15-16. Meet us at AT Park in San
>>> Francisco, CA to explore cutting-edge tech and listen to tech luminaries
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>> 
>> 
>> -- 
>> Robert M. Hanson
>> Larson-Anderson Professor of Chemistry
>> St. Olaf College
>> Northfield, MN
>> http://www.stolaf.edu/people/hansonr <http://www.stolaf.edu/people/hansonr>
>> 
>> 
>> If nature does not answer first what we want,
>> it is better to take what answer we get. 
>> 
>> -- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900
>> 
>> --
>> Attend Shape: An AT Tech Expo July 15-16. Meet us at AT Park in San
>> Francisco, CA to explore cutting-edge tech and listen to tech luminaries
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>> everyone, including kids. Get more information and register today.
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Saint Mary's College
Notre Dame, IN 46556
pb...@saintmarys.edu


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[Jmol-users] RCSB

2016-06-28 Thread Philip Bays
In today’s version (…..6.28) the RCSB protein files in jsmol.htm do not load 
correctly.  Yesterday’s version (….6.27)  worked.  Can anyone else confirm that?

Phil


Philip Bays
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pb...@saintmarys.edu



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Re: [Jmol-users] Jmol audio (applet and Application; Java and JavaScript)

2016-06-27 Thread Philip Bays
Bob: You have a  typo in your link.


> On Jun 27, 2016, at 1:51 AM, Robert Hanson <hans...@stolaf.edu> wrote:
> 
> Isn't HTML5 is great??
> 
> Jmol.___JmolVersion="14.7.0_2016.06.27"
> 
> new feature: load AUDIO audiofilename
>  -- Java and JavaScript applet can read WAV, MP3, and OGG files
>  -- application can read WAV files only
>  
> See http://chemapp.stolaf.edu/jmol/zip/jmol-14.7.0_2016.06.27.zip 
> <http://chemapp.stolaf.edu/jmol/zip/jmol-14.7.0_2016.06.27.zip>
> 
> (uploading now)
> 
> 
> 
> 
> 
> -- 
> Robert M. Hanson
> Larson-Anderson Professor of Chemistry
> St. Olaf College
> Northfield, MN
> http://www.stolaf.edu/people/hansonr <http://www.stolaf.edu/people/hansonr>
> 
> 
> If nature does not answer first what we want,
> it is better to take what answer we get. 
> 
> -- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900
> 
> --
> Attend Shape: An AT Tech Expo July 15-16. Meet us at AT Park in San
> Francisco, CA to explore cutting-edge tech and listen to tech luminaries
> present their vision of the future. This family event has something for
> everyone, including kids. Get more information and register today.
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Saint Mary's College
Notre Dame, IN 46556
pb...@saintmarys.edu


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Re: [Jmol-users] Compare Seems to Be Broken 14.6.0_2016 05 24

2016-06-23 Thread Philip Bays
Sorry.  Intended for someone else.


> On Jun 23, 2016, at 10:14 AM, Robert Hanson <hans...@stolaf.edu> wrote:
> 
> ??
> 
> On Wed, Jun 22, 2016 at 2:16 PM, Philip Bays <pb...@saintmarys.edu 
> <mailto:pb...@saintmarys.edu>> wrote:
> Steve was actually looking at ones that were nominally mine.  I know one was 
> my laptop and another was the desktop.   I think we had some mac laptops at 
> one point that are gone.   All of the ip’s he had for for Apple devices.   We 
> decided to cancel them all and see who complains:-)
> 
> 
>> On Jun 22, 2016, at 1:03 PM, Robert Hanson <hans...@stolaf.edu 
>> <mailto:hans...@stolaf.edu>> wrote:
>> 
>> Yes, that helps. Broken in 14.5.5. Fixed in next release. (tonight)
>> 
>> On Fri, Jun 17, 2016 at 10:54 AM, Otis Rothenberger <osrot...@icloud.com 
>> <mailto:osrot...@icloud.com>> wrote:
>> Bob,
>> 
>> If it helps, 14.4.4_2016.03.25 is a few days after you fixed the click 
>> invert and compare IS WORKING in this version.
>> 
>> Otis
>> --
>> Otis Rothenberger
>> o...@chemagic.org <mailto:o...@chemagic.org>
>> http://chemagic.org <http://chemagic.org/>
>> 
>> > On Jun 16, 2016, at 3:40 PM, Otis Rothenberger <osrot...@icloud.com 
>> > <mailto:osrot...@icloud.com>> wrote:
>> >
>> > Bob,
>> >
>> > I think compare might be broken in 14.6.0_2016 05 24. The following script 
>> > reports diastereomers when enantiomers are in the window:
>> >
>> > var i = {*}.atomno.max + 1;var t = {*}.atomno.min;select within(branch, 
>> > {atomno=i}, {atomno=t});var x = compare({selected}, {not selected}, 
>> > "ISOMER");print x
>> >
>> > 05 17 on the test2.html page shows the same result.
>> >
>> > Perhaps it’s the selection method, but playing with coloring atoms to 
>> > follow selections suggests that my selection is OK.
>> >
>> > Wild Guess: A while back the act of click inversion was broken, and you 
>> > fixed it. Is it possible that the following line in SmilesMatcher.js was 
>> > affected by the click inversion fix?
>> >
>> > check = (this.areEqual ("/invertstereo/" + smiles2, smiles1) > 0);
>> >
>> > Otis
>> >
>> > --
>> > Otis Rothenberger
>> > o...@chemagic.org <mailto:o...@chemagic.org>
>> > http://chemagic.org <http://chemagic.org/>
>> >
>> 
>> 
>> --
>> What NetFlow Analyzer can do for you? Monitors network bandwidth and traffic
>> patterns at an interface-level. Reveals which users, apps, and protocols are
>> consuming the most bandwidth. Provides multi-vendor support for NetFlow,
>> J-Flow, sFlow and other flows. Make informed decisions using capacity 
>> planning
>> reports. http://sdm.link/zohomanageengine <http://sdm.link/zohomanageengine>
>> ___
>> Jmol-users mailing list
>> Jmol-users@lists.sourceforge.net <mailto:Jmol-users@lists.sourceforge.net>
>> https://lists.sourceforge.net/lists/listinfo/jmol-users 
>> <https://lists.sourceforge.net/lists/listinfo/jmol-users>
>> 
>> 
>> 
>> -- 
>> Robert M. Hanson
>> Larson-Anderson Professor of Chemistry
>> St. Olaf College
>> Northfield, MN
>> http://www.stolaf.edu/people/hansonr <http://www.stolaf.edu/people/hansonr>
>> 
>> 
>> If nature does not answer first what we want,
>> it is better to take what answer we get. 
>> 
>> -- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900
>> 
>> ------
>> Attend Shape: An AT Tech Expo July 15-16. Meet us at AT Park in San
>> Francisco, CA to explore cutting-edge tech and listen to tech luminaries
>> present their vision of the future. This family event has something for
>> everyone, including kids. Get more information and register today.
>> http://sdm.link/attshape___ 
>> <http://sdm.link/attshape___>
>> Jmol-users mailing list
>> Jmol-users@lists.sourceforge.net <mailto:Jmol-users@lists.sourceforge.net>
>> https://lists.sourceforge.net/lists/listinfo/jmol-users 
>> <https://lists.sourceforge.net/lists/listinfo/jmol-users>
> 
> Philip Bays
> Emeritus Professor of Chemistry
> Saint Mary's College
> Notre

Re: [Jmol-users] Compare Seems to Be Broken 14.6.0_2016 05 24

2016-06-22 Thread Philip Bays
Steve was actually looking at ones that were nominally mine.  I know one was my 
laptop and another was the desktop.   I think we had some mac laptops at one 
point that are gone.   All of the ip’s he had for for Apple devices.   We 
decided to cancel them all and see who complains:-)


> On Jun 22, 2016, at 1:03 PM, Robert Hanson <hans...@stolaf.edu> wrote:
> 
> Yes, that helps. Broken in 14.5.5. Fixed in next release. (tonight)
> 
> On Fri, Jun 17, 2016 at 10:54 AM, Otis Rothenberger <osrot...@icloud.com 
> <mailto:osrot...@icloud.com>> wrote:
> Bob,
> 
> If it helps, 14.4.4_2016.03.25 is a few days after you fixed the click invert 
> and compare IS WORKING in this version.
> 
> Otis
> --
> Otis Rothenberger
> o...@chemagic.org <mailto:o...@chemagic.org>
> http://chemagic.org <http://chemagic.org/>
> 
> > On Jun 16, 2016, at 3:40 PM, Otis Rothenberger <osrot...@icloud.com 
> > <mailto:osrot...@icloud.com>> wrote:
> >
> > Bob,
> >
> > I think compare might be broken in 14.6.0_2016 05 24. The following script 
> > reports diastereomers when enantiomers are in the window:
> >
> > var i = {*}.atomno.max + 1;var t = {*}.atomno.min;select within(branch, 
> > {atomno=i}, {atomno=t});var x = compare({selected}, {not selected}, 
> > "ISOMER");print x
> >
> > 05 17 on the test2.html page shows the same result.
> >
> > Perhaps it’s the selection method, but playing with coloring atoms to 
> > follow selections suggests that my selection is OK.
> >
> > Wild Guess: A while back the act of click inversion was broken, and you 
> > fixed it. Is it possible that the following line in SmilesMatcher.js was 
> > affected by the click inversion fix?
> >
> > check = (this.areEqual ("/invertstereo/" + smiles2, smiles1) > 0);
> >
> > Otis
> >
> > --
> > Otis Rothenberger
> > o...@chemagic.org <mailto:o...@chemagic.org>
> > http://chemagic.org <http://chemagic.org/>
> >
> 
> 
> --
> What NetFlow Analyzer can do for you? Monitors network bandwidth and traffic
> patterns at an interface-level. Reveals which users, apps, and protocols are
> consuming the most bandwidth. Provides multi-vendor support for NetFlow,
> J-Flow, sFlow and other flows. Make informed decisions using capacity planning
> reports. http://sdm.link/zohomanageengine <http://sdm.link/zohomanageengine>
> ___
> Jmol-users mailing list
> Jmol-users@lists.sourceforge.net <mailto:Jmol-users@lists.sourceforge.net>
> https://lists.sourceforge.net/lists/listinfo/jmol-users 
> <https://lists.sourceforge.net/lists/listinfo/jmol-users>
> 
> 
> 
> -- 
> Robert M. Hanson
> Larson-Anderson Professor of Chemistry
> St. Olaf College
> Northfield, MN
> http://www.stolaf.edu/people/hansonr <http://www.stolaf.edu/people/hansonr>
> 
> 
> If nature does not answer first what we want,
> it is better to take what answer we get. 
> 
> -- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900
> 
> --
> Attend Shape: An AT Tech Expo July 15-16. Meet us at AT Park in San
> Francisco, CA to explore cutting-edge tech and listen to tech luminaries
> present their vision of the future. This family event has something for
> everyone, including kids. Get more information and register today.
> http://sdm.link/attshape___
> Jmol-users mailing list
> Jmol-users@lists.sourceforge.net
> https://lists.sourceforge.net/lists/listinfo/jmol-users

Philip Bays
Emeritus Professor of Chemistry
Saint Mary's College
Notre Dame, IN 46556
pb...@saintmarys.edu


--
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Re: [Jmol-users] JmolApplet.jar

2016-05-18 Thread Philip Bays
Is it posible to do the following:
Keep the java in the distribution
Put all of the examples and scripts in separate directory.   This would of 
course require changing the script to find the required files, but they would 
be available for playing with for development purposes (I find them very 
helpful!), but could be removed when transferring the relevant files to the 
server.

Phil

> On May 18, 2016, at 5:38 AM, Angel Herráez <angel.herr...@uah.es> wrote:
> 
> I certainly would prefer to have Java available in the distribution. For 
> large 
> proteins and complexes there is still a significant difference in performance.
> 
> Maybe the nonsigned variant can be dropped / separated into the other 
> download
> 
> On the other hand, I would vote for not having the extra files in the 
> distribution like examples, scripts, copy of jQuery etc
> Just leave what is needed for an operative JSmol, HTML5+Java
> 
> 
> 
> 
> --
> Mobile security can be enabling, not merely restricting. Employees who
> bring their own devices (BYOD) to work are irked by the imposition of MDM
> restrictions. Mobile Device Manager Plus allows you to control only the
> apps on BYO-devices by containerizing them, leaving personal data untouched!
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> ___
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> Jmol-users@lists.sourceforge.net
> https://lists.sourceforge.net/lists/listinfo/jmol-users

Philip Bays
Emeritus Professor of Chemistry
Saint Mary's College
Notre Dame, IN 46556
pb...@saintmarys.edu



--
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bring their own devices (BYOD) to work are irked by the imposition of MDM
restrictions. Mobile Device Manager Plus allows you to control only the
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Re: [Jmol-users] Jmol 14.4.4_2016.04.21

2016-04-22 Thread Philip Bays
Not sure why you are pulling it but I do have some comments on mutf.htm.
What is quaternion difference and what does it mean in the protein 
world?
I find that auth generates the cartoon model and DSSP appears to do 
nothing.


> On Apr 22, 2016, at 7:40 AM, Robert Hanson <hans...@stolaf.edu> wrote:
> 
> sorry, had to delete that build.
> ​
> --
> Find and fix application performance issues faster with Applications Manager
> Applications Manager provides deep performance insights into multiple tiers of
> your business applications. It resolves application problems quickly and
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Philip Bays
Emeritus Professor of Chemistry
Saint Mary's College
Notre Dame, IN 46556
pb...@saintmarys.edu



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Re: [Jmol-users] window resizer test

2016-04-20 Thread Philip Bays
I think the "load file" and "load url” button are reversed.   The load url 
gives the file browsing option.


> On Apr 20, 2016, at 3:02 PM, Robert Hanson <hans...@stolaf.edu> wrote:
> 
> Oops. No, I just didn't realize I had clipped my local path. 
> 
> http://chemapps.stolaf.edu/jmol/jsmol/mmtf.htm 
> <http://chemapps.stolaf.edu/jmol/jsmol/mmtf.htm>
> 
> One of the things I am trying here is switching to asynchronous transport for 
> binary files. This is supposed to be better for compatibility with Safari, 
> but I'm not sure that is the case.
> 
> --
> Find and fix application performance issues faster with Applications Manager
> Applications Manager provides deep performance insights into multiple tiers of
> your business applications. It resolves application problems quickly and
> reduces your MTTR. Get your free trial!
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Philip Bays
Emeritus Professor of Chemistry
Saint Mary's College
Notre Dame, IN 46556
pb...@saintmarys.edu


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Re: [Jmol-users] window resizer test

2016-04-20 Thread Philip Bays
Bob:   This works in Mac Safari for me.  But if I copy your file to the most 
recently release, all it does is show the platform speed selections.  The 
applet does not load nor any of the buttons.

What am I missing?

Phil



> On Apr 20, 2016, at 3:02 PM, Robert Hanson <hans...@stolaf.edu> wrote:
> 
> Oops. No, I just didn't realize I had clipped my local path. 
> 
> http://chemapps.stolaf.edu/jmol/jsmol/mmtf.htm 
> <http://chemapps.stolaf.edu/jmol/jsmol/mmtf.htm>
> 
> One of the things I am trying here is switching to asynchronous transport for 
> binary files. This is supposed to be better for compatibility with Safari, 
> but I'm not sure that is the case.
> 
> --
> Find and fix application performance issues faster with Applications Manager
> Applications Manager provides deep performance insights into multiple tiers of
> your business applications. It resolves application problems quickly and
> reduces your MTTR. Get your free trial!
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Philip Bays
Emeritus Professor of Chemistry
Saint Mary's College
Notre Dame, IN 46556
pb...@saintmarys.edu


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Re: [Jmol-users] Jmol and MMTF for testing

2016-04-20 Thread Philip Bays
Is the mmtf file supposed top be a part of the release, or is it only on your 
server?   I do not find it in the jsmol directory.


> On Apr 20, 2016, at 2:07 AM, Robert Hanson <hans...@stolaf.edu> wrote:
> 
> see http://chemapps.stolaf.edu/jmol/jsmol/mmtf.htm 
> <http://chemapps.stolaf.edu/jmol/jsmol/mmtf.htm> and 
> http://chemapps.stolaf.edu/jmol/zip/jmol-14.5.4_2016.04.19.zip 
> <http://chemapps.stolaf.edu/jmol/zip/jmol-14.5.4_2016.04.19.zip>
> 
> needs testing; highly experimental.
> 
> Bob
> 
> 
> Jmol.___JmolVersion="14.5.4_2016.04.19"
> 
> FEATURE NOTE:   DSSP calculation at http://www.cmbi.ru.nl/dssp.html 
> <http://www.cmbi.ru.nl/dssp.html> as changed 
> from the original version, now emphasizing pi-helices (type 
> "helix-5")
> insteda of alpha. The pi-helix set is determined first, then 
> alpha helices 
> (helix-4), then 3-10 helices (helix-3). I am not changing the 
> order of
> determination in Jmol because I think this is a bug in that 
> algorithm.
> 
> new feature: preliminary MMTF reader 
>   -- MacroMolecular Transmission Format (MMTF, from RTSB)
>   -- see https://github.com/rcsb/mmtf/blob/master/spec.md#overview 
> <https://github.com/rcsb/mmtf/blob/master/spec.md#overview>
>   -- binary format for file transfer and molecule construction
>   -- uses MessagePack binary JSON format
>   -- entirely experimental; not for general consumption
>   -- biomolecule processing works
>   -- DSSP secondary structure is read
>   -- use LOAD =.mmtf  for quick loading
>   
>  *
>  * JmolData RCSB MMTF (macromolecular transmission format) file reader
>  * 
>  * see https://github.com/rcsb/mmtf/blob/master/spec.md 
> <https://github.com/rcsb/mmtf/blob/master/spec.md>
>  * 
>  * /full/ specification as of 2016.4.18 is implemented,including:
>  * 
>  * reading atoms, bonds, and DSSR secondary structure
>  * 
>  *   load =1f88.mmtf 
>  *   
>  * 
>  * reading space groups and unit cells, and using those as per other readers
>  * 
>  *   load =1crn.mmtf {1 1 1} 
>  * 
>  * reading bioassemblies (biomolecules) and applying those transformations
>  * 
>  *   load =1auy.mmtf FILTER "biomolecule 1;*.CA,*.P"
>  * 
>  * reading biomolecules and lattices, and loading course-grained
>  * 
>  *   load =1auy.mmtf {2 2 1} filter "biomolecule 1;bychain";spacefill 30.0; 
> color property symop
>  * 
>  *
> 
> bug fix: certain viral capsid CIF files will fail to load due to this line: 
> XAU '(X0)(1-10,21-25)' A,B,C 
> 
> 
> 
> 
> -- 
> Robert M. Hanson
> Larson-Anderson Professor of Chemistry
> Chair, Department of Chemistry
> St. Olaf College
> Northfield, MN
> http://www.stolaf.edu/people/hansonr <http://www.stolaf.edu/people/hansonr>
> 
> 
> If nature does not answer first what we want,
> it is better to take what answer we get. 
> 
> -- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900
> 
> --
> Find and fix application performance issues faster with Applications Manager
> Applications Manager provides deep performance insights into multiple tiers of
> your business applications. It resolves application problems quickly and
> reduces your MTTR. Get your free trial!
> https://ad.doubleclick.net/ddm/clk/302982198;130105516;z___
> Jmol-users mailing list
> Jmol-users@lists.sourceforge.net
> https://lists.sourceforge.net/lists/listinfo/jmol-users

Philip Bays
Emeritus Professor of Chemistry
Saint Mary's College
Notre Dame, IN 46556
pb...@saintmarys.edu


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Re: [Jmol-users] Jmol and MMTF for testing

2016-04-20 Thread Philip Bays
Otis:
What about NCI loads?   I am getting no response.  But it is not unique to this 
version apparently.


> On Apr 20, 2016, at 9:27 AM, Otis Rothenberger <osrot...@icloud.com> wrote:
> 
> I see the same behavior as Phil, but I see two other things in Safari, 
> probably because I have developer tools turned on:
> 
> 1) Load Pop-up
> 
> JSmolCore.js: synchronous binary file transfer is requested but not available
> 
> 2) JS Console
> 
> XMLHttpRequest.responseType cannot be changed for synchronous HTTP(S) 
> requests made from the window context.
> 
> Otis
> --
> Otis Rothenberger
> o...@chemagic.org <mailto:o...@chemagic.org>
> http://chemagic.org
> 
>> On Apr 20, 2016, at 9:01 AM, Philip Bays <pb...@saintmarys.edu 
>> <mailto:pb...@saintmarys.edu>> wrote:
>> 
>> Mac Safari does not like the mufti.htm file load from your site.  
>> Unrecognized format for 1crn.  Chrome and Firefox work fine.
>> 
>> 
>>> On Apr 20, 2016, at 2:07 AM, Robert Hanson <hans...@stolaf.edu 
>>> <mailto:hans...@stolaf.edu>> wrote:
>>> 
>>> see http://chemapps.stolaf.edu/jmol/jsmol/mmtf.htm 
>>> <http://chemapps.stolaf.edu/jmol/jsmol/mmtf.htm> and 
>>> http://chemapps.stolaf.edu/jmol/zip/jmol-14.5.4_2016.04.19.zip 
>>> <http://chemapps.stolaf.edu/jmol/zip/jmol-14.5.4_2016.04.19.zip>
>>> 
>>> needs testing; highly experimental.
>>> 
>>> Bob
>>> 
>>> 
>>> Jmol.___JmolVersion="14.5.4_2016.04.19"
>>> 
>>> FEATURE NOTE:   DSSP calculation at http://www.cmbi.ru.nl/dssp.html 
>>> <http://www.cmbi.ru.nl/dssp.html> as changed 
>>> from the original version, now emphasizing pi-helices (type 
>>> "helix-5")
>>> insteda of alpha. The pi-helix set is determined first, 
>>> then alpha helices 
>>> (helix-4), then 3-10 helices (helix-3). I am not changing 
>>> the order of
>>> determination in Jmol because I think this is a bug in that 
>>> algorithm.
>>> 
>>> new feature: preliminary MMTF reader 
>>>   -- MacroMolecular Transmission Format (MMTF, from RTSB)
>>>   -- see https://github.com/rcsb/mmtf/blob/master/spec.md#overview 
>>> <https://github.com/rcsb/mmtf/blob/master/spec.md#overview>
>>>   -- binary format for file transfer and molecule construction
>>>   -- uses MessagePack binary JSON format
>>>   -- entirely experimental; not for general consumption
>>>   -- biomolecule processing works
>>>   -- DSSP secondary structure is read
>>>   -- use LOAD =.mmtf  for quick loading
>>>   
>>>  *
>>>  * JmolData RCSB MMTF (macromolecular transmission format) file reader
>>>  * 
>>>  * see https://github.com/rcsb/mmtf/blob/master/spec.md 
>>> <https://github.com/rcsb/mmtf/blob/master/spec.md>
>>>  * 
>>>  * /full/ specification as of 2016.4.18 is implemented,including:
>>>  * 
>>>  * reading atoms, bonds, and DSSR secondary structure
>>>  * 
>>>  *   load =1f88.mmtf 
>>>  *   
>>>  * 
>>>  * reading space groups and unit cells, and using those as per other readers
>>>  * 
>>>  *   load =1crn.mmtf {1 1 1} 
>>>  * 
>>>  * reading bioassemblies (biomolecules) and applying those transformations
>>>  * 
>>>  *   load =1auy.mmtf FILTER "biomolecule 1;*.CA,*.P"
>>>  * 
>>>  * reading biomolecules and lattices, and loading course-grained
>>>  * 
>>>  *   load =1auy.mmtf {2 2 1} filter "biomolecule 1;bychain";spacefill 30.0; 
>>> color property symop
>>>  * 
>>>  *
>>> 
>>> bug fix: certain viral capsid CIF files will fail to load due to this line: 
>>> XAU '(X0)(1-10,21-25)' A,B,C 
>>> 
>>> 
>>> 
>>> 
>>> -- 
>>> Robert M. Hanson
>>> Larson-Anderson Professor of Chemistry
>>> Chair, Department of Chemistry
>>> St. Olaf College
>>> Northfield, MN
>>> http://www.stolaf.edu/people/hansonr <http://www.stolaf.edu/people/hansonr>
>>> 
>>> 
>>> If nature does not answer first what we want,
>>> it is better to take what answer we get. 
>>> 
>>> -- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900
>>> 
>>> --
>>> Find 

Re: [Jmol-users] Jmol and MMTF for testing

2016-04-20 Thread Philip Bays
Mac Safari does not like the mufti.htm file load from your site.  Unrecognized 
format for 1crn.  Chrome and Firefox work fine.


> On Apr 20, 2016, at 2:07 AM, Robert Hanson <hans...@stolaf.edu> wrote:
> 
> see http://chemapps.stolaf.edu/jmol/jsmol/mmtf.htm 
> <http://chemapps.stolaf.edu/jmol/jsmol/mmtf.htm> and 
> http://chemapps.stolaf.edu/jmol/zip/jmol-14.5.4_2016.04.19.zip 
> <http://chemapps.stolaf.edu/jmol/zip/jmol-14.5.4_2016.04.19.zip>
> 
> needs testing; highly experimental.
> 
> Bob
> 
> 
> Jmol.___JmolVersion="14.5.4_2016.04.19"
> 
> FEATURE NOTE:   DSSP calculation at http://www.cmbi.ru.nl/dssp.html 
> <http://www.cmbi.ru.nl/dssp.html> as changed 
> from the original version, now emphasizing pi-helices (type 
> "helix-5")
> insteda of alpha. The pi-helix set is determined first, then 
> alpha helices 
> (helix-4), then 3-10 helices (helix-3). I am not changing the 
> order of
> determination in Jmol because I think this is a bug in that 
> algorithm.
> 
> new feature: preliminary MMTF reader 
>   -- MacroMolecular Transmission Format (MMTF, from RTSB)
>   -- see https://github.com/rcsb/mmtf/blob/master/spec.md#overview 
> <https://github.com/rcsb/mmtf/blob/master/spec.md#overview>
>   -- binary format for file transfer and molecule construction
>   -- uses MessagePack binary JSON format
>   -- entirely experimental; not for general consumption
>   -- biomolecule processing works
>   -- DSSP secondary structure is read
>   -- use LOAD =.mmtf  for quick loading
>   
>  *
>  * JmolData RCSB MMTF (macromolecular transmission format) file reader
>  * 
>  * see https://github.com/rcsb/mmtf/blob/master/spec.md 
> <https://github.com/rcsb/mmtf/blob/master/spec.md>
>  * 
>  * /full/ specification as of 2016.4.18 is implemented,including:
>  * 
>  * reading atoms, bonds, and DSSR secondary structure
>  * 
>  *   load =1f88.mmtf 
>  *   
>  * 
>  * reading space groups and unit cells, and using those as per other readers
>  * 
>  *   load =1crn.mmtf {1 1 1} 
>  * 
>  * reading bioassemblies (biomolecules) and applying those transformations
>  * 
>  *   load =1auy.mmtf FILTER "biomolecule 1;*.CA,*.P"
>  * 
>  * reading biomolecules and lattices, and loading course-grained
>  * 
>  *   load =1auy.mmtf {2 2 1} filter "biomolecule 1;bychain";spacefill 30.0; 
> color property symop
>  * 
>  *
> 
> bug fix: certain viral capsid CIF files will fail to load due to this line: 
> XAU '(X0)(1-10,21-25)' A,B,C 
> 
> 
> 
> 
> -- 
> Robert M. Hanson
> Larson-Anderson Professor of Chemistry
> Chair, Department of Chemistry
> St. Olaf College
> Northfield, MN
> http://www.stolaf.edu/people/hansonr <http://www.stolaf.edu/people/hansonr>
> 
> 
> If nature does not answer first what we want,
> it is better to take what answer we get. 
> 
> -- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900
> 
> --
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Saint Mary's College
Notre Dame, IN 46556
pb...@saintmarys.edu


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Re: [Jmol-users] RasMol terms

2016-04-14 Thread Philip Bays
I will pass for the  moment.   I have solved my questions.


> On Apr 14, 2016, at 1:59 PM, Rolf Huehne <rolf.hue...@leibniz-fli.de> wrote:
> 
> On 04/14/2016 07:19 PM, Robert Hanson wrote:
>> Phil, you should check out DSSR. It is amazing! Sorry this is not
>> documented yet:
>> 
>> new feature: select shortcuts for nucleic acid structures
>>   -- for example: select junctions; select kissingloops
>>   -- activated after load =/dssr or calculate structure dssr
>>   -- includes:
>> "@bulges within(dssr,'bulges')",
>> "@coaxStacks within(dssr,'coaxStacks')",
>> "@hairpins within(dssr,'hairpins')",
>> "@hbonds within(dssr,'hbonds')",
>> "@helices within(dssr,'helices')",
>> "@iloops within(dssr,'iloops')",
>> "@isoCanonPairs within(dssr,'isoCanonPairs')",
>> "@junctions within(dssr,'junctions')",
>> "@kissingLoops within(dssr,'kissingLoops')",
>> "@multiplets within(dssr,'multiplets')",
>> "@nonStack within(dssr,'nonStack')",
>> "@nts within(dssr,'nts')",
>> "@naChains within(dssr,'naChains')",
>> "@pairs within(dssr,'pairs')",
>> "@ssSegments within(dssr,'ssSegments')",
>> "@stacks within(dssr,'stacks')",
>> "@stems within(dssr,'stems')",
>> 
>> 
>> 
>> load =1d66/dssr
>> $ print _M.dssr.pairs.select("(nt*) where bp='C-G' or bp='G-C'")
>> |1|E|DG|38
>> |1|D|DC|1
>> |1|E|DG|37
>> |1|D|DC|2
>> ...
>> |1|D|DG|19
>> 
>> $ x= _M.dssr.pairs.select("(nt*) where bp='C-G' or bp='G-C'")
>> $ select x
>> 
>> 
>> Works for RNA and DNA
>> 
> I tried 'select within(dssr,"basePairs")' and 'select 
> within(basepair,"GCAT")' for PDB entry '3cro' at
> http://chemapps.stolaf.edu/jmol/jsmol/jsmol.htm (see examples below) and 
> didn't get the expected results.
> 
> In example 1 also about 300 protein atoms were selected, and in example 
> 2 also about 900 protein atoms were selected.
> 
> In example 3 two basepairs were not recognized, but at least no protein 
> atoms were selected. Adding 'calculate structure dssr' didn't make a 
> difference.
> 
> - Example 1 
> load =3cro
> calculate structure dssr
> cartoon only
> selectionhalos on
> select within(dssr,"basePairs")
> 
> - Example 2 
> load =3cro/dssr
> cartoon only
> selectionhalos on
> select within(dssr,"basePairs")
> 
> - Example 3 
> load =3cro
> cartoon only
> selectionhalos on
> select within(basepair,"GCAT")
> 
> 
> Regards,
> Rolf
> -- 
> 
> Rolf Huehne
> Postdoc
> 
> Leibniz Institute on Aging - Fritz Lipmann Institute (FLI)
> Beutenbergstrasse 11
> 07745 Jena, Germany
> 
> Phone:   +49 3641 65 6205
> Fax: +49 3641 65 6210
> E-Mail:  rolf.hue...@leibniz-fli.de
> Website: http://www.leibniz-fli.de
> 
>   Scientific Director: Prof. Dr. K. Lenhard Rudolph
>Head of Administration: Dr. Daniele Barthel
> Chairman of Board of Trustees: Burkhard Zinner
> 
> VAT No: DE 153 925 464
> Register of Associations: No. 230296, Amtsgericht Jena
> Tax Number: 162/141/08228
> 
> 
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[Jmol-users] RasMol terms

2016-04-14 Thread Philip Bays
This is for the biomolecular people:

How does one use the term “Selected”?  Seems to me that it is redundant.

In the Nucleic Acid area: How does one use CG and AT to select base pairing?

Perhaps these are not implemented in Jmol?

PS  I am finding today’s version to work well for my purposes, which are 
limited.  And HEM now works:-)

Philip Bays
Emeritus Professor of Chemistry
Saint Mary's College
Notre Dame, IN 46556
pb...@saintmarys.edu



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Re: [Jmol-users] Jmol 14.4.4_2106.04.11

2016-04-11 Thread Philip Bays
mz)"
>   "xyzOriginal"  :  "-x,-y,-z,m"
>  }
>  
>In addition, all possible keys of this array may be used as well for 
> outputType. These include:
>
>"axisVector", "cartesianTranslation", "centeringVector", 
> "fractionalTranslation", 
>  "inversionCenter", "label", "matrix", "plane", "rotationAngle",  
>  "timeReversal", "unitTranslation", "xyz", and "xyzOriginal"
> 
>  Three of these that may be less than obvious are explained below:
>  
>  "centeringVector"  For operations that are pure lattice translations, 
> returns the vector 
> for this centering in fractional coordinates.
> 
>  "timeReversal" This quantity is 0 for standard space groups. 
> Magnetic space group
> operations also include the possibility of inversion 
> of the spin
> along with any 3D symmetry operation. This inversion 
> characteristic
> is referred to as "time reversal" and takes the value 
> of 1 or -1. 
> 
>  "unitTranslation"  Symmetry operations involving two atoms may include 
> an extra 
> lattice translation if the two atoms are in different 
> unit cells.
> This translation is above and beyond any fractional 
> lattice centering
> that this operator incorporates for a face- or 
> body-centered space group.  
>   
> new feature: show spacegroup/x
> 
>  -- selects lines from a space group report similar to the way show 
> state/ works
>  -- example:
>  
>   load =ams/quartz 1
>   show spacegroup/Class
>   
> new feature: show/draw symop @1 @2
>  -- gives full list of matching symmetry operations
>  -- example:
>  
> $ load =magndata/1.23 {444 555 1} packed
> $ show symop  @153 @299
> 
> 1x+2,y,z2(mx,my,mz)translation: 2 0 -2
> 5-x,-y,-z(mx,my,mz)Ci: 0 0 0
> 11x+2,-y,-z(-mx,my,mz)2-fold screw axis|translation: 2 0 
> 0|time-reversed
> 15-x,y,z2(-mx,my,mz)c-glide plane|translation: 0 0 
> -2|time-reversed
>   
> new feature: show/draw symop @1 @2 n
>  -- shows or draws the nth symmetry operation relating atom 1 to atom 2
>  -- example:
>  
> $ load =magndata/1.23 {444 555 1} packed
> $ show symop  @153 @299 3
> 
> 11x+2,-y,-z(-mx,my,mz)2-fold screw axis|translation: 2 0 
> 0|time-reversed
>   
> new feature: print pointgroup("spacegroup", @1)
>  -- analyzes the point group (crystal class) of a crystal. 
>  -- uses three irrational-coordinate points to generate all possible operators
>  -- creates a map with keys (somewhat variable depending upon axes present):
>  
> C2
> C3
> Ci
> Cs
> S6
> detail
> distanceTolerance
> linearTolerance
> nAtoms
> nC2
> nC3
> nCi
> nCn
> nCs
> nS6
> nSn
> nTotal
> name
> points
> principalAxis
> 
> new feature: draw SPACEGROUP
>  -- draws all operations in space group
>  
> new feature: draw POINTGROUP SPACEGROUP
>  -- draws crystal class symmetry operations for a space group
>  -- uses point group style, with circular planes 
> 
> new feature: @1.find("crystalClass", pt)
>   -- generates a list of points based on a model's crystal class (point group)
>   -- uses @1 just to find the unit cell and space group
>   -- optional pt is used as a generator (defaults to @1)
>   -- example:
>load =ams/calcite 1
>    x = @3.find("crystalClass")
>print pointgroup(x).name
>draw points @x
>polyhedra ID p {0 0 0} to @x
> 
> 
> 
> -- 
> Robert M. Hanson
> Larson-Anderson Professor of Chemistry
> Chair, Department of Chemistry
> St. Olaf College
> Northfield, MN
> http://www.stolaf.edu/people/hansonr <http://www.stolaf.edu/people/hansonr>
> 
> 
> If nature does not answer first what we want,
> it is better to take what answer we get. 
> 
> -- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900
> 
> --
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Saint Mary's College
Notre Dame, IN 46556
pb...@saintmarys.edu


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[Jmol-users] Symbols

2016-04-04 Thread Philip Bays
Some days/weeks ago someone posted the symbols used for the various databases 
(i.e. $  for NCl)   I cannot find that post which I know I saved:-(  Can 
someone refresh it for me.

Phil

Philip Bays
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Saint Mary's College
Notre Dame, IN 46556
pb...@saintmarys.edu



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Re: [Jmol-users] Protein Loading

2016-04-01 Thread Philip Bays
You should not have looked at that page:-(   It has not been updated in a long 
time and needs some work, but it also uses a much older version of jsmol — 
12/14/13.  It also works for me to drag and drop onto that.  But simply 
replacing it with the new version throws a bunch of javascript errors on 
loading.   Will look at what that is all about tomorrow— maybe.

Phil


> On Apr 1, 2016, at 6:31 PM, Robert Hanson <hans...@stolaf.edu> wrote:
> 
> Drag-drop can't utilize jsmol.php, because it is not a "file" per se, just a 
> bunch of bytes. But try it in your installation at 
> http://sites.saintmarys.edu/~pbays/ <http://sites.saintmarys.edu/~pbays/>  -- 
> worked for me there
> 
> Bob
> 
> ​
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pb...@saintmarys.edu


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Re: [Jmol-users] Protein Loading

2016-04-01 Thread Philip Bays
OK.  It does not work with my implementation on any of the browsers on the mac, 
but it does with your jsmol.htm file.   So it’s me:-(


> On Apr 1, 2016, at 4:24 PM, Robert Hanson <hans...@stolaf.edu> wrote:
> 
> 
> 
> On Fri, Apr 1, 2016 at 2:52 PM, Philip Bays <pb...@saintmarys.edu 
> <mailto:pb...@saintmarys.edu>> wrote:
> I have a file entitled 5e6e.pdb.gz that I downloaded this week. Using 
> previous versions of jsmol.min, this file would load via drag-and-drop or 
> using the local-file load mechanism. In the latest version, jsmol version 
> (03.31) I get a "file not recognized" error.  I can download the structure 
> directly from RCSB.
> 
> with Firefox/Windows and Chrome/Windows I had no problem drag-dropping into 
> JSmol. 
> Is this perhaps browser/platform dependent?
> 
>  
> 
> A definition question: In the various sample test files involving 
> macromolecules that I have looked at, Bob uses the terms “structure” and 
> “groups" as a color and display choices.   I am not sure what I am looking at 
> in each case.  I thought it might be 4° structure, but now I am not sure.
> 
> 
> structure is type of secondary structure -- different types of helix, sheet, 
> etc.
> 
> group is just 1->n within each chain.
> 
>  
> Phil
> 
> Philip Bays
> Emeritus Professor of Chemistry
> Saint Mary's College
> Notre Dame, IN 46556
> pb...@saintmarys.edu <mailto:pb...@saintmarys.edu>
> 
> 
> 
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> 
> 
> 
> -- 
> Robert M. Hanson
> Larson-Anderson Professor of Chemistry
> Chair, Department of Chemistry
> St. Olaf College
> Northfield, MN
> http://www.stolaf.edu/people/hansonr <http://www.stolaf.edu/people/hansonr>
> 
> 
> If nature does not answer first what we want,
> it is better to take what answer we get. 
> 
> -- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900
> 
> --
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pb...@saintmarys.edu


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[Jmol-users] Protein Loading

2016-04-01 Thread Philip Bays
I have a file entitled 5e6e.pdb.gz that I downloaded this week. Using previous 
versions of jsmol.min, this file would load via drag-and-drop or using the 
local-file load mechanism. In the latest version, jsmol version (03.31) I get a 
"file not recognized" error.  I can download the structure directly from RCSB.

A definition question: In the various sample test files involving 
macromolecules that I have looked at, Bob uses the terms “structure” and 
“groups" as a color and display choices.   I am not sure what I am looking at 
in each case.  I thought it might be 4° structure, but now I am not sure.

Phil

Philip Bays
Emeritus Professor of Chemistry
Saint Mary's College
Notre Dame, IN 46556
pb...@saintmarys.edu



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[Jmol-users] Ligands

2016-03-30 Thread Philip Bays
Can JSmol pick out and display ligands in proteins?  What is the script for 
that?

Phil

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Re: [Jmol-users] Open local files

2016-03-29 Thread Philip Bays
Thanks. left out the “?":-(

> On Mar 29, 2016, at 2:06 PM, Robert Hanson <hans...@stolaf.edu> wrote:
> 
> "Open Local File" is not a Jmol script command. Check 
> http://chemapps.stolaf.edu/jmol/jsmol/simple2.htm 
> <http://chemapps.stolaf.edu/jmol/jsmol/simple2.htm> to see how the "Load 
> File" link works. I believe it is just
> 
>  load ?
> 
> 
> 
> On Tue, Mar 29, 2016 at 1:02 PM, Philip Bays <pb...@saintmarys.edu 
> <mailto:pb...@saintmarys.edu>> wrote:
> I am putting together a page and want a link on it to open local files.  I 
> know that you can do this through the JSmol frank menu, but I want the link 
> on the page.  I have tried the following:
> 
> console
> 
> mailto:pb...@saintmarys.edu>
> 
> 
> 
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> 
> 
> 
> -- 
> Robert M. Hanson
> Larson-Anderson Professor of Chemistry
> Chair, Department of Chemistry
> St. Olaf College
> Northfield, MN
> http://www.stolaf.edu/people/hansonr <http://www.stolaf.edu/people/hansonr>
> 
> 
> If nature does not answer first what we want,
> it is better to take what answer we get. 
> 
> -- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900
> 
> --
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[Jmol-users] Open local files

2016-03-29 Thread Philip Bays
I am putting together a page and want a link on it to open local files.  I know 
that you can do this through the JSmol frank menu, but I want the link on the 
page.  I have tried the following:

console

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Re: [Jmol-users] Jmol 14.4.4_2016.03.21

2016-03-21 Thread Philip Bays
And I am seeing on the campus website using the 0228 release.

Possible that RCSB is down??


> On Mar 21, 2016, at 5:13 PM, Robert Hanson <hans...@stolaf.edu> wrote:
> 
> I am not seeing that. Others?
> ​
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Re: [Jmol-users] Jmol 14.4.4_2016.03.21

2016-03-21 Thread Philip Bays
Bob:
I am seeing “unrecognized file format” errors in this release for both PubChem 
and RCSB.


> On Mar 21, 2016, at 2:38 PM, Robert Hanson <hans...@stolaf.edu> wrote:
> 
> This update takes care of a few minor bugs and also introduces several 
> powerful features in relation to polyhedra, unit cells, and SMILES. 
> 
> Jmol.___JmolVersion="14.4.4_2016.03.21"
> released
> 
> new feature: moveto axis [a1-c4]
>  -- extends moveto axis a|b|c to all for corners 1|2|3|4
> where 1 is upper left, 2 is upper right, 3 is lower right, and 4 is lower 
> left
>  -- for example, MOVETO AXIS a3
>  -- defaults: a==a1, b==b1, c==c4
>  
> new feature: axes OFFSET x.x
>  -- applies offset of x.x in fractional coordinates in each axis direction
>  -- AXES OFFSET -0.1   same as   AXES CENTER {-0.1 -0.1 -0.1/1}
>  
> new feature: expanded unitcell() function
>  -- adds additional types: "A", "B", "C", "I", "F"
>  -- default is the lattice type of the model's space group
>  -- not just cubic; "BCC" is converted to "I"
>  -- for example:
>  
>  load =ams/silicon 15 packed   // Cmca
>  draw id "uc" diameter 0.1 unitcell mesh nofill color black
>  unitcell @{unitcell("primitive")}
>  color unitcell red
>  unitcell 0.1
>  axes unitcell
>  axes on
> 
> new feature: expanded UNITCELL command to include PRIMITIVE option for any 
> space group
> 
> new feature: show smiles/NCI  aka  show smiles/CACTVS  aka show 
> smiles/canonical
> 
>  -- generates nonaromatic SMILES and sends that to NCI for canonicalization
>  
> bug fix: SMILES matcher not allowing azulene to be aromatic
> 
> bug fix: OpenSMILES matcher not allowing non-chemist Hueckel 4+2 
> interpretation
> 
> bug fix: SMILES generator not adding "-" for biphenyl Ar-Ar bond
> 
> bug fix: set picking invertSTEREO  does not work on open-ring systems
> 
> bug fix: SMARTS [R] matching all atoms
>   
> bug fix: dashed lines not visible in measurements, unit cells, and axes 
> 
> bug fix: axes 0.01  produces thick 20-pixel-wide lines
>  -- solution was to drop that to 0.001 for this effect
>  
> bug fix: Polyhedra with verticies that are also centers of polyhedra for 
> atoms that were visible
>  but are no longer visible do not update screen positions properly
> 
> 
> 
> -- 
> Robert M. Hanson
> Larson-Anderson Professor of Chemistry
> Chair, Department of Chemistry
> St. Olaf College
> Northfield, MN
> http://www.stolaf.edu/people/hansonr <http://www.stolaf.edu/people/hansonr>
> 
> 
> If nature does not answer first what we want,
> it is better to take what answer we get. 
> 
> -- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900
> 
> --
> Transform Data into Opportunity.
> Accelerate data analysis in your applications with
> Intel Data Analytics Acceleration Library.
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Saint Mary's College
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pb...@saintmarys.edu


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[Jmol-users] Malware

2016-03-12 Thread Philip Bays
I struggled yesterday with a McAfee report of malware on my desktop Mac. The 
software does not provide a resizable window so I could not get the full path 
of the offending files.  But it was identified as JS/Downloader……….. in a mail 
message.  I finally got rid of it on the main machine and various backups.  Is 
this a jmol file? Something that was attached to a jmol message?

Anyone else seeing this?

Phil

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Re: [Jmol-users] new InChI option

2016-03-08 Thread Philip Bays
Some time ago I made a comment here about taxol.   It was a molecule I went to 
when testing jsmol.  It always loaded a nice 3D structure.   Then, it changed 
to the 2D structure that now loads. 

 
> On Mar 8, 2016, at 9:29 PM, Robert Hanson <hans...@stolaf.edu> wrote:
> 
> Whatever the problem is, it has to do with loading a trashy 2D structure 
> instead of a good 3D structure, apparently. 
> 
> I have placed a taxol structure in jsmol/data so you can see that it does 
> work: http://chemapps.stolaf.edu/jmol/jsmol/inchi.htm 
> <http://chemapps.stolaf.edu/jmol/jsmol/inchi.htm>
> 
> I note that in creating this from the RCSB ligand TA1, I had to invent a new 
> way to write a MOL file:
> 
> load ==TA1
> write MOL0 "taxol.mol"
> 
> The new MOL0 format avoids use of the aromatic single and aromatic double 
> bond types 6 and 7. 
> (There is a bug in inchi.js that it cannot read these bond types.)
> 
> 
> Bob
> 
> 
> ​
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Re: [Jmol-users] JSmol on Safari Mac Version 9.0.3 (11601.4.4)

2016-02-11 Thread Philip Bays
I confirm this behavior.  You can go back and forth if they are loaded in tabs 
or different pages, but not via history.  Same Safari version.  In Firefox and 
Chrome, the applet reloads on return.


> On Feb 11, 2016, at 1:41 PM, Jaime Prilusky <jaime.prilu...@weizmann.ac.il> 
> wrote:
> 
> It seems that JSmol gets unloaded when a page gets out of focus, by flipping 
> between pages, on Safari Mac Version 9.0.3 (11601.4.4).
> 
> 1. Open any page on Safari  Mac (tested on Version 9.0.3)
> 
> 2. Now open a page with JSMol on it, i.e. http://proteopedia.org/w/1dnn
> 
> 3. Go to the previous page: History->Back or click on the ’Show the previous 
> page’ arrow 
> 
> 4. Go to the JSmol page: History->Forward or click on the ‘Show the next 
> page’ arrow
> 
> JSmol is not longer reponsive.
> 
> This doesn’t happen on Chrome or Firefox on Mac. Doesn’t happen either on 
> Safari when a page loose focus by opening another window on the same browser.
> 
> Jaim
> 
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[Jmol-users] Taxol

2016-01-03 Thread Philip Bays
Observation for both 12.23 and 01.01.  When you load taxol from NCl it is not 
minimized; it is flat.  It did not used to be that way.   I suspect it is NCl 
since other molecules (cholesterol, tetracycline, etc.) are fine.


Philip Bays
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Notre Dame, IN 46556
pb...@saintmarys.edu



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Re: [Jmol-users] test please

2015-12-21 Thread Philip Bays
This link works in Safari, albeit slowly. That mat be because the console log 
is being displayed.

Phil

> On Dec 21, 2015, at 8:02 PM, Robert Hanson <hans...@stolaf.edu> wrote:
> 
> Brilliant, Paul! Very nice! 
> 
> I think I have http://chemapps.stolaf.edu/jmol/jsmol2/test2.htm 
> <http://chemapps.stolaf.edu/jmol/jsmol2/test2.htm> working now on Macs using 
> that -- please test -- I will get JSmol.min.js created and jsmol.htm there 
> working later tonight.
> 
> Bob
> 
> ​
> --
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Re: [Jmol-users] test please

2015-12-20 Thread Philip Bays
Bob:
Then link to your site does not work with Safari on the Mac,  Works with 
Firefox and Chrome.  When I launch the file test2.htm from the desktop, it 
again works in Firefox and Chrome but not Safari.  In this case the list of 
files loading is visible and the crash comes at the following:


TypeError: b.slice is not a function. (In 'b.slice(c, d)', 'b.slice' is 
undefined)


Phil


> On Dec 20, 2015, at 6:37 PM, Robert Hanson <hans...@stolaf.edu> wrote:
> 
> I have made some significant changes to the way JSmol handles arrays. This 
> needs wider testing -- Mac OS especially, JavaScript/HTML5 specifically.
> 
> The full code is at:
> 
> http://chemapps.stolaf.edu/jmol/zip/jmol-14.4.0_2015.12.20.zip 
> <http://chemapps.stolaf.edu/jmol/zip/jmol-14.4.0_2015.12.20.zip>
> 
> 
> But you could also just test it at
> 
> http://chemapps.stolaf.edu/jmol/jsmol2/jsmol.htm 
> <http://chemapps.stolaf.edu/jmol/jsmol2/jsmol.htm>
> 
> if you want to. 
> 
> If something is wrong, it will be immediately obvious. Specific tests that 
> will be helpful are from the middle column and include anything that is 
> binary: the PyMOL session file, the water.xyz.gz, 1hxw.png, 
> square_planar.spartan, among others. 
> 
> Mostly what I did was to implement byte arrays (Int8Array in JavaScript) and 
> much faster array manipulation using .slice(). 
> 
> Maybe also making images.
> 
> I think this may break Internet Explorer 9, but that might not be a big deal 
> -- there were just 300 visits out of 250,000 from that. But also Maybe Safari 
> 5.1 will break. again, only very few visits from that. Maybe time to move on.
> 
> 
> Bob
> 
> Robert M. Hanson
> Larson-Anderson Professor of Chemistry
> Chair, Department of Chemistry
> St. Olaf College
> Northfield, MN
> http://www.stolaf.edu/people/hansonr <http://www.stolaf.edu/people/hansonr>
> 
> 
> If nature does not answer first what we want,
> it is better to take what answer we get. 
> 
> -- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900
> 
> --
> ___
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Re: [Jmol-users] test please

2015-12-20 Thread Philip Bays
Addendum:   I am running Safari 9.02.  OS X 10.11.2


> On Dec 20, 2015, at 6:37 PM, Robert Hanson <hans...@stolaf.edu> wrote:
> 
> I have made some significant changes to the way JSmol handles arrays. This 
> needs wider testing -- Mac OS especially, JavaScript/HTML5 specifically.
> 
> The full code is at:
> 
> http://chemapps.stolaf.edu/jmol/zip/jmol-14.4.0_2015.12.20.zip 
> <http://chemapps.stolaf.edu/jmol/zip/jmol-14.4.0_2015.12.20.zip>
> 
> 
> But you could also just test it at
> 
> http://chemapps.stolaf.edu/jmol/jsmol2/jsmol.htm 
> <http://chemapps.stolaf.edu/jmol/jsmol2/jsmol.htm>
> 
> if you want to. 
> 
> If something is wrong, it will be immediately obvious. Specific tests that 
> will be helpful are from the middle column and include anything that is 
> binary: the PyMOL session file, the water.xyz.gz, 1hxw.png, 
> square_planar.spartan, among others. 
> 
> Mostly what I did was to implement byte arrays (Int8Array in JavaScript) and 
> much faster array manipulation using .slice(). 
> 
> Maybe also making images.
> 
> I think this may break Internet Explorer 9, but that might not be a big deal 
> -- there were just 300 visits out of 250,000 from that. But also Maybe Safari 
> 5.1 will break. again, only very few visits from that. Maybe time to move on.
> 
> 
> Bob
> 
> Robert M. Hanson
> Larson-Anderson Professor of Chemistry
> Chair, Department of Chemistry
> St. Olaf College
> Northfield, MN
> http://www.stolaf.edu/people/hansonr <http://www.stolaf.edu/people/hansonr>
> 
> 
> If nature does not answer first what we want,
> it is better to take what answer we get. 
> 
> -- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900
> 
> --
> ___
> Jmol-users mailing list
> Jmol-users@lists.sourceforge.net
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Re: [Jmol-users] Jmol 14.4.1_2015.12.13 released - IMPORTANT

2015-12-13 Thread Philip Bays
I concur with Otis, at least on my local server.

Phil

> On Dec 13, 2015, at 2:42 PM, Otis Rothenberger <osrot...@chemagic.com> wrote:
> 
> Bob,
> 
>  http://chemapps.stolaf.edu/jmol/jsmol/jsmol.htm 
> <http://chemapps.stolaf.edu/jmol/jsmol/jsmol.htm>   on Chrome Mac (Latest 
> versions OS and Chrome) works fine after cache clear.
> 
> On my site, I swapped out JSmol.min.nojq.js and this also works fine after 
> cache clear.
> 
> “Fine” means a quick check. I’ll play around a bit to make sure.
> 
> Otis
> 
> --
> Otis Rothenberger
> o...@chemagic.com <mailto:o...@chemagic.com>
> http://chemagic.com
> 
>> On Dec 13, 2015, at 1:56 PM, Robert Hanson <hans...@stolaf.edu 
>> <mailto:hans...@stolaf.edu>> wrote:
>> 
>> This new version is now available at SourceForge:
>> 
>> Download Jmol-14.4.1_2015.12.13-binary.zip (60.3 MB) 
>> <https://sourceforge.net/projects/jmol/files/latest/download?source=files>
>> 
>> 
>> IMPORTANT: A very recent modification of Chrome makes Chrome unusable with 
>> all previous versions of JSmol, at least until sometime in January. The 
>> WebGL version of JSmol is not impacted. 
>> 
>> This appears to be the result of a well-meaning attempt by Chromium 
>> developers to enhance smooth scrolling of pages by lowering the priority of 
>> setTimeout calls. However, the unanticipated fallout of that change results 
>> in extremely rough rotation of models. You can follow the issue here: 
>> https://code.google.com/p/chromium/issues/detail?id=568725 
>> <https://code.google.com/p/chromium/issues/detail?id=568725>  Note that one 
>> of the last comments on Dec. 11 indicates that there indicates this issue 
>> will not be addressed until sometime in January. 
>> 
>> But there is a workaround. This release of Jmol 14.4.1 should correct that 
>> problem and, at the same time, may improve performance with Microsoft Edge. 
>> 
>> I have put up two versions of JSmol that illustrate the problem and the fix:
>> 
>> (original) http://chemapps.stolaf.edu/jmol/jsmol/jsmol.htm 
>> <http://chemapps.stolaf.edu/jmol/jsmol/jsmol.htm>
>> (fixed) http://chemapps.stolaf.edu/jmol/jsmol2/jsmol.htm 
>> <http://chemapps.stolaf.edu/jmol/jsmol2/jsmol.htm>
>> 
>> Testing of that second site would be appreciated.
>> 
>> The work-around is simple, and if you want, you can implement this yourself 
>> on your site.  Really (in terms of this bug) it is just a single coding 
>> change in jsmol/js/JSmol.js, where one "setTimeout(f)" has been replaced 
>> with "requestAnimationFrame(f)". Thus, if you prefer, you should be able to 
>> just swap in a new JSmol.min.js or JSmol.min.nojq.js for the old one. I have 
>> not tried this. Of course, if you do that, then the other bugs listed below 
>> will still be there. If you want to try that, here is the link to that file 
>> specifically:
>> 
>> http://chemapps.stolaf.edu/jmol/jsmol2/JSmol.min.js 
>> <http://chemapps.stolaf.edu/jmol/jsmol2/JSmol.min.js>
>> 
>> Bob
>> 
>> Jmol.___JmolVersion="14.4.1_2015.12.13"
>> 
>> bug fix: JavaScript Chrome/Edge fix for slow response due to setTimeout 
>> issues; uses requestAnimationFrame instead in JSmol.js 
>> bug fix: zoomTo not setting time to 0 in the case of scriptWait
>> bug fix: set selectAllModels should restrict action of display/hide as well
>> bug fix: set selectAllModels not working appropriately
>> bug fix: set selectAllModels should not be saved in state
>> bug fix: JmolData.jar does not update atom screen positions upon REFRESH or 
>> select {visible}
>> bug fix: JmolData.jar -p flag does not work properly
>> bug fix: model 0 issued when more than one PDB file is open does not execute 
>> model *
>> 
>> -- 
>> Robert M. Hanson
>> Larson-Anderson Professor of Chemistry
>> Chair, Department of Chemistry
>> St. Olaf College
>> Northfield, MN
>> http://www.stolaf.edu/people/hansonr <http://www.stolaf.edu/people/hansonr>
>> 
>> 
>> If nature does not answer first what we want,
>> it is better to take what answer we get. 
>> 
>> -- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900
>> 
>> --
>> ___
>> Jmol-users mailing list
>> Jmol-users@lists.sourceforge.net <mailto:Jmol-users@lists.sourceforge.net>
>> https://lists.sourceforge.net/lists/listinfo/jmol-users
> 
> --
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Re: [Jmol-users] Jmol -- testing requested

2015-08-25 Thread Philip Bays
Do these errors only show up on your web page, or do they show up using some of 
Bob’s sample pages?  I have the newest on both a local server and on the campus 
server, but not integrated into my web pages yet.  But I can access one of 
Bob's samples from that server to see what happens.  I am running OS 10.10.5 
and Safari 8.0.8.

Phil

 On Aug 25, 2015, at 2:46 PM, Paul PILLOT paulpil...@gmail.com wrote:
 
 Thanks Otis,
 I am also running pages from my local web server (localhost). I haven’t 
 spotted the setting you are referring to. 
 I have made further tests with firefox 40 and Chrome 44.
 The three browsers give the same consistent error messages (that don’t 
 prevent jsmol from working).
 
 Paul
 
 Le 25-08-2015 à 14:34, Otis Rothenberger osrot...@chemagic.com a écrit :
 
 Bob and Paul,
 
 I’m not seeing this (below) in MacOS X 10.10.4 (Yosemite) and Safari 8.0.7.
 
 I should mention that I’m running locally with internet connection - i.e. 
 all my AJAX remote calls working.
 
 This means that I run Safari with “Disable Local File Restrictions” checked.
 
 Otis
 
 --
 Otis Rothenberger
 o...@chemagic.com
 http://chemagic.com
 
 
 
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[Jmol-users] jmol/jmse issue

2015-08-19 Thread Philip Bays
I have played with this.   At first I thought it had do with symmetry, but now 
I think it is the presence of an aromatic ring.  For example, if you load 
toluene in the dismal applet, then rotate it to look down the methyl-ring bond, 
send it to jsme and then return it to jmol, it will rotate the structure (or 
re-download it) so that the ring is face-on.  I do not see the issue in 
molecules without an aromatic ring, even substituted cyclohexane seem to retain 
the new orientation in jmol.

Phil

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[Jmol-users] Fwd: jmol/jmse issue

2015-08-19 Thread Philip Bays
PS:   I can’t decide whether this is a bug or a feature.

 Begin forwarded message:
 
 From: Philip Bays pb...@saintmarys.edu
 Subject: jmol/jmse issue
 Date: August 19, 2015 at 11:06:29 AM EDT
 To: Jmol Jmol jmol-users@lists.sourceforge.net
 
 I have played with this.   At first I thought it had do with symmetry, but 
 now I think it is the presence of an aromatic ring.  For example, if you load 
 toluene in the dismal applet, then rotate it to look down the methyl-ring 
 bond, send it to jsme and then return it to jmol, it will rotate the 
 structure (or re-download it) so that the ring is face-on.  I do not see the 
 issue in molecules without an aromatic ring, even substituted cyclohexane 
 seem to retain the new orientation in jmol.
 
 Phil
 
 Philip Bays
 Emeritus Professor of Chemistry
 Saint Mary's College
 Notre Dame, IN 46556
 pb...@saintmarys.edu
 
 

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Notre Dame, IN 46556
pb...@saintmarys.edu


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Re: [Jmol-users] enlarging text in console and script editor windows

2015-07-29 Thread Philip Bays
Is the new Font button missing in the console in ….07.29?


 On Jul 29, 2015, at 5:35 AM, Robert Hanson hans...@stolaf.edu wrote:
 
 A new [Font] button has been added to the console in Jmol 14.2 and 14.3; It 
 allows five different font sizes, from tiny to extra large
 
 On Tue, Jul 28, 2015 at 6:54 PM, Angel Herráez angel.herr...@uah.es 
 mailto:angel.herr...@uah.es wrote:
 Hi Margaret
 
 I think the answer is no.
 You may copy and paste code to/from a Notepad window -- that's what I
 often use to display text while projecting, it's easy to set the font size.
 
 
 
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 https://lists.sourceforge.net/lists/listinfo/jmol-users 
 https://lists.sourceforge.net/lists/listinfo/jmol-users
 
 
 
 -- 
 Robert M. Hanson
 Larson-Anderson Professor of Chemistry
 Chair, Department of Chemistry
 St. Olaf College
 Northfield, MN
 http://www.stolaf.edu/people/hansonr http://www.stolaf.edu/people/hansonr
 
 
 If nature does not answer first what we want,
 it is better to take what answer we get. 
 
 -- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900
 
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[Jmol-users] jsme jmol demo

2015-06-21 Thread Philip Bays
Bob:  Just for your information, while your new file solved problems for 
Safari, Chrome does not load any of the jsme demos locate in the jsmol 
directory.  The first ( jsme.htm) results in a blank page and the other two 
which use both jsmol and jsme throw an error related to core/package for jsmol.

Again, this is on a Mac running the latest iteration of OS X.


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Re: [Jmol-users] JSME Qestion

2015-06-19 Thread Philip Bays
That fixed it.   Thanks.


 On Jun 19, 2015, at 6:43 PM, Robert Hanson hans...@stolaf.edu wrote:
 
 It was an error in JSmolJME.js that I have fixed. If you want  to just 
 download that, it goes in the jsmol/js directory. Find it at
 
 from http://chemapps.stolaf.edu/jmol/jsmol/js/JSmolJME.js 
 http://chemapps.stolaf.edu/jmol/jsmol/js/JSmolJME.js
 
 
 
 On Fri, Jun 19, 2015 at 4:08 PM, Philip Bays pb...@saintmarys.edu 
 mailto:pb...@saintmarys.edu wrote:
 Bob, Angel, and Otis:
 
 Thanks for the suggestions.  The width was not a problem for me.  I had 
 already gotten out of the box.  However, I have discovered the issue.It 
 manifests in all three of Bob’s samples for loading JSMe: jsme.htm, 
 jsmetest.htm, and jsmetest2.htm.  In each example, the applet loads 
 correctly.  All of the buttons along the top work as expected, except FG.  
 None of the vertical buttons work as expected.  In each case for these 
 buttons (FG and vertical) the button has to be “touched” at the very bottom 
 of the border to activate.
 
 Now all of this is in Safari on the Mac.  Firefox works fine.  However, 
 Chrome on the two files that load both jsme and jsmol, the jmol applet fails 
 to load, throwing javascript errors.
 
 I recognize that there are other ways to get the two applets on the same 
 page, but something is problematic with these demos.  I can, in fact, write 
 code that loads just jsme, and the applet works as expected in Safari and 
 Firefox.   Still having some issues with Chrome (i.e. blank screen!).
 
 
 
  On Jun 18, 2015, at 7:58 PM, Robert Hanson hans...@stolaf.edu 
  mailto:hans...@stolaf.edu wrote:
 
 
  ​I have increased the width of the JSME applet to be 350, even if I do like 
  squares. :)
 
   Thanks, Angel.
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Re: [Jmol-users] JSME Qestion

2015-06-18 Thread Philip Bays
In the same folder as what?

J. Philip Bays
Emeritus Professor of Chemistry
Saint Mary's College
Norte Dame, IN

Sent from my iPad

 On Jun 18, 2015, at 1:05 AM, Otis Rothenberger osrot...@chemagic.com wrote:
 
 Phil,
 
 I'm at a loss other than saying that there is something inherent in Bob's 
 JSmol/JSME page that is causing the problem. If you use
 
 jsmol/jsme/JSME.html
 
 in the same jsmol folder, then the problem goes away. Clicking anywhere in 
 the FG icon drops the menu.
 
 Wild, I don’t have a clue, guess: Bob does redefine the JSME jsmeOnLoad 
 function in his page. Peter’s page has a code comment that suggests that 
 loading with this on load function is important with respect to proper applet 
 element display. Maybe the new jsmeOnLoad function is causing the problem.
 
 Otis
 
 
 
 
 On Jun 17, 2015, at 11:03 PM, Philip Bays pb...@saintmarys.edu wrote:
 
 And that is specific to Safari.   Works in Firefox.  On the other hand, 
 Chrome has issues throwing error messages.
 
 
 On Jun 17, 2015, at 9:31 PM, Otis Rothenberger osrot...@chemagic.com 
 wrote:
 
 Phil,
 
 Bob is doing something on those pages that is way over my head! The hidden 
 FG button actually throws a JS error when you expose it and click it. The 
 way over my head part comes via:
 
 js/JSmolJME.js
 
 I can see that he’s integrating JSmol with JSME, but I get lost real fast 
 if I try to get down to specifics in the .js file. As usual, Bob’s approach 
 is elegant. It allows very simple communication between JSmol (multiple 
 applets) and  a single JSME applet with this code:
 
 Jmol.show2d(jmol, false)  and Jmol.show2d(jmol, true)
 
 It may be that he is using 300X300 to hide the FG button because of 
 something js/JSmolJME.js is doing that interferes with the button. I 
 vaguely recall (years ago) some warnings from Bob about this implementation 
 of Jmol with JME.
 
 The following JSME template would offer you an alternate approach:
 
 jsmol/jsme/JSME.html
 
 Alternatively, use
 
 http://chemagic.com/molecules/jsme.htm
 
 It’s stripped down to absolute bare bones. You have to write separate 
 JavaScript to make JSmol and JSME talk to each other, but the JSME and 
 JSmol functions are there to do that - Jmol functions that were not in 
 place when Jmol first started using JME. Back then I was using a clumsy 
 Jmol load-data approach. Jmol 2015 vs Jmol 2008: Thanks in large part to 
 Bob, it’s come a long way.
 
 Otis
 
 
 
 On Jun 17, 2015, at 4:50 PM, Philip Bays pb...@saintmarys.edu wrote:
 
 OK.   I have found the source of my issue, but not the solution yet.   
 Please note the jsmoljsmetest2 file in the distribution.  If you edit the 
 file to expand the width to 400, you see the FG button.  But if you try to 
 use this applet, none of the vertical buttons work, nor does the FG.   
 Since I was using that as my coding pattern, I reproduced the problem.   
 Now to look at it in more detail tomorrow.
 
 
 
 
 On Jun 17, 2015, at 3:58 PM, Otis Rothenberger osrot...@chemagic.com 
 wrote:
 
 Phil,
 
 Nah, Bob just likes squares! The JSME applet needs to be 400X300 to see 
 all the buttons. The 300X300 applet just cuts off the buttons after 
 cyclooctane.
 
 You could definitely teak the old JME FG button. Again this goes back to 
 JME Java applet. In fact, it was not a button. It was a JavaScript drop 
 down menu that could be modified by some type of cookie structure that 
 remembered your drop entries. This is where I got the idea of using Local 
 Storage to store JME structures. Users can store 50 JME structures in our 
 application page that I linked to earlier.
 
 Otis
 
 
 
 On Jun 17, 2015, at 3:33 PM, Philip Bays pb...@saintmarys.edu wrote:
 
 If you look at some of Bob’s examples, you will find that they are 
 biasing some of the buttons, including FG.  I vaguely recall that there 
 was a way to turn them on and off.
 
 
 On Jun 17, 2015, at 2:21 PM, Otis Rothenberger osrot...@chemagic.com 
 wrote:
 
 There is no option setting for FG, it should just be there. At least I 
 think that’s the case. You can check my options in the above JSME page.
 
 Philip Bays
 Emeritus Professor of Chemistry
 Saint Mary's College
 Notre Dame, IN 46556
 pb...@saintmarys.edu
 
 
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Re: [Jmol-users] JSME Qestion

2015-06-18 Thread Philip Bays
Thanks

 On Jun 18, 2015, at 11:59 AM, Angel Herráez angel.herr...@uah.es wrote:
 
 It seems one of my former messages got lost.
 
 Phil,  this simplest code works fine:
 
 !DOCTYPE HTML
 html
 head
 script src=jsme/jsme.nocache.js type=text/javascript/script
 script type=text/javascript
 var JSMEditor;
 function jsmeOnLoad() {
  if ( document.getElementById('jsmeContainer') ) {
JSMEditor = new JSApplet.JSME(jsmeContainer, {
  options : multipart,polarnitro,oldLook,atommovebutton,
});
JSMEditor.setMolecularAreaLineWidth(2);
  }
 }
 /script
 /head
 body
 div id=jsmeContainer style=width:400px; height:312px;/div
 /body
 /html
 
 
 
 
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Re: [Jmol-users] JSME Qestion

2015-06-17 Thread Philip Bays
Otis:
I am looking at the second link.   The FG function works, even if I have not 
begun drawing. Mine does not.   I will put together an separate test page and 
see if it does there.

 I note that you have the following options set:

options : query,hydrogens,autoez,multipart,reaction,nocanonize”,

However, no hydrogens appear when I draw a structure in your applet.What 
does that options thing do?  (I know, that is a secondary question.)




 On Jun 17, 2015, at 2:21 PM, Otis Rothenberger osrot...@chemagic.com wrote:
 
 Phil,
 
 I put JSME into an iFrame. Here is the main model application page:
 
 http://chemagic.com/molecules/mini.html 
 http://chemagic.com/molecules/mini.html
 
 Here is the JSME page that is in the iFrame of the above page:
 
 http://chemagic.com/molecules/jsme.htm 
 http://chemagic.com/molecules/jsme.htm
 
 There is no option setting for FG, it should just be there. At least I think 
 that’s the case. You can check my options in the above JSME page.
 
 Otis
 
 
 
 
 On Jun 17, 2015, at 2:08 PM, Philip Bays pb...@saintmarys.edu 
 mailto:pb...@saintmarys.edu wrote:
 
 I do not see where you set the options for jsme in your source.   Do you 
 have that in an ancillary file?
 
 
 On Jun 17, 2015, at 2:49 PM, Angel Herráez angel.herr...@uah.es 
 mailto:angel.herr...@uah.es wrote:
 
 Hi Phil
 
 Not much documentation. 
 I seem to remember that the display of buttons might depend on the size 
 (width) of the JSME panel.
 See if my page gives you some insight:
 http://biomodel.uah.es/en/DIY/JSME/draw.en.htm 
 http://biomodel.uah.es/en/DIY/JSME/draw.en.htm
 
 or http://bit.ly/DIYmol
 
 Yes, I do have the FG button there!
 
 
 
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Re: [Jmol-users] JSME Qestion

2015-06-17 Thread Philip Bays
I have to go to a local ACS meeting in a while.   I will get back to you in a 
day or so.   At this point the file is not online yet.


 On Jun 17, 2015, at 2:33 PM, Otis Rothenberger osrot...@chemagic.com wrote:
 
 Phil,
 
 Can you point me to the page that is not working?
 
 Historical Note: In the history of JME/JSME, this menu went through some 
 transitions. At one point, cookies were involved. That goes back to the Java 
 applet, I think. This should just work out of the box, I think.
 
 Otis
 
 
 On Jun 17, 2015, at 2:22 PM, Philip Bays pb...@saintmarys.edu wrote:
 
 If you go to a jmol distribution to the following demo file (I am testing in 
 the latest jmol release on 6/16):
 
 jmol0616/jsmol/jsme/JSME.html
 
 You will, see the FG button activated.  When I try to do that on the gismo I 
 have inserted on page, the button is present, but not active.   That is, you 
 do not get the menu of FG options.  Perhaps that requires a file I do not 
 have loaded on my site?  I note that in the setup for jsme (which my 
 spellchecker insists on replacing with gismo!) there is an “options” 
 specifications.   it is not clear to me that any of those are really 
 sticking either.  And I have seen pages using options that are not on the 
 “list” from the official jsme site.
 
 
 On Jun 17, 2015, at 2:08 PM, Otis Rothenberger osrot...@chemagic.com 
 wrote:
 
 Hi Phil,
 
 I use the version in Jmol, and FG works. Are you using it correctly?
 
 1) Click FG to get drop menu.
 2) Make a group selection .
 3) The FG button stays gray, and your selection is now click atom active 
 with the selection group item.
 
 Like other JME buttons FG is only active until you click another tool.
 
 Otis
 
 
 
 On Jun 17, 2015, at 1:16 PM, Philip Bays pb...@saintmarys.edu wrote:
 
 I am working with Jmol and Jsme.   I cannot find some information about 
 jsme and wonder if someone has a link.   I see the files in the jmol 
 distribution and have jsme running on several pages.  However, in most of 
 Bob’s examples he does not show the FG button.  I want that and have it 
 displayed.   But I apparently do not have it set to be active. Is this 
 specified in the options, and if so, how? Any help?
 
 Phil
 
 Philip Bays
 Emeritus Professor of Chemistry
 Saint Mary's College
 Notre Dame, IN 46556
 pb...@saintmarys.edu
 
 
 
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 pb...@saintmarys.edu
 
 
 
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Re: [Jmol-users] JSME Qestion

2015-06-17 Thread Philip Bays
If you look at some of Bob’s examples, you will find that they are biasing some 
of the buttons, including FG.  I vaguely recall that there was a way to turn 
them on and off.


 On Jun 17, 2015, at 2:21 PM, Otis Rothenberger osrot...@chemagic.com wrote:
 
 There is no option setting for FG, it should just be there. At least I think 
 that’s the case. You can check my options in the above JSME page.

Philip Bays
Emeritus Professor of Chemistry
Saint Mary's College
Notre Dame, IN 46556
pb...@saintmarys.edu


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Re: [Jmol-users] JSME Qestion

2015-06-17 Thread Philip Bays
I found the issue.   Turns out all works well, except that you have to click 
the button at the very bottom, not in the center,   That is true of the 
vertical elements as well as the FG button.  Takes a steady hand.


 On Jun 17, 2015, at 9:31 PM, Otis Rothenberger osrot...@chemagic.com wrote:
 
 Phil,
 
 Bob is doing something on those pages that is way over my head! The hidden FG 
 button actually throws a JS error when you expose it and click it. The way 
 over my head part comes via:
 
 js/JSmolJME.js
 
 I can see that he’s integrating JSmol with JSME, but I get lost real fast if 
 I try to get down to specifics in the .js file. As usual, Bob’s approach is 
 elegant. It allows very simple communication between JSmol (multiple applets) 
 and  a single JSME applet with this code:
 
 Jmol.show2d(jmol, false)  and Jmol.show2d(jmol, true)
 
 It may be that he is using 300X300 to hide the FG button because of something 
 js/JSmolJME.js is doing that interferes with the button. I vaguely recall 
 (years ago) some warnings from Bob about this implementation of Jmol with JME.
 
 The following JSME template would offer you an alternate approach:
 
 jsmol/jsme/JSME.html
 
 Alternatively, use
 
 http://chemagic.com/molecules/jsme.htm 
 http://chemagic.com/molecules/jsme.htm
 
 It’s stripped down to absolute bare bones. You have to write separate 
 JavaScript to make JSmol and JSME talk to each other, but the JSME and JSmol 
 functions are there to do that - Jmol functions that were not in place when 
 Jmol first started using JME. Back then I was using a clumsy Jmol load-data 
 approach. Jmol 2015 vs Jmol 2008: Thanks in large part to Bob, it’s come a 
 long way.
 
 Otis
 
 
 
 On Jun 17, 2015, at 4:50 PM, Philip Bays pb...@saintmarys.edu 
 mailto:pb...@saintmarys.edu wrote:
 
 OK.   I have found the source of my issue, but not the solution yet.   
 Please note the jsmoljsmetest2 file in the distribution.  If you edit the 
 file to expand the width to 400, you see the FG button.  But if you try to 
 use this applet, none of the vertical buttons work, nor does the FG.   Since 
 I was using that as my coding pattern, I reproduced the problem.   Now to 
 look at it in more detail tomorrow.
 
 
 
 
 On Jun 17, 2015, at 3:58 PM, Otis Rothenberger osrot...@chemagic.com 
 mailto:osrot...@chemagic.com wrote:
 
 Phil,
 
 Nah, Bob just likes squares! The JSME applet needs to be 400X300 to see all 
 the buttons. The 300X300 applet just cuts off the buttons after cyclooctane.
 
 You could definitely teak the old JME FG button. Again this goes back to 
 JME Java applet. In fact, it was not a button. It was a JavaScript drop 
 down menu that could be modified by some type of cookie structure that 
 remembered your drop entries. This is where I got the idea of using Local 
 Storage to store JME structures. Users can store 50 JME structures in our 
 application page that I linked to earlier.
 
 Otis
 
 
 
 On Jun 17, 2015, at 3:33 PM, Philip Bays pb...@saintmarys.edu 
 mailto:pb...@saintmarys.edu wrote:
 
 If you look at some of Bob’s examples, you will find that they are biasing 
 some of the buttons, including FG.  I vaguely recall that there was a way 
 to turn them on and off.
 
 
 On Jun 17, 2015, at 2:21 PM, Otis Rothenberger osrot...@chemagic.com 
 mailto:osrot...@chemagic.com wrote:
 
 There is no option setting for FG, it should just be there. At least I 
 think that’s the case. You can check my options in the above JSME page.
 
 Philip Bays
 Emeritus Professor of Chemistry
 Saint Mary's College
 Notre Dame, IN 46556
 pb...@saintmarys.edu mailto:pb...@saintmarys.edu
 
 
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Re: [Jmol-users] JSME Qestion

2015-06-17 Thread Philip Bays
And that is specific to Safari.   Works in Firefox.  On the other hand, Chrome 
has issues throwing error messages.


 On Jun 17, 2015, at 9:31 PM, Otis Rothenberger osrot...@chemagic.com wrote:
 
 Phil,
 
 Bob is doing something on those pages that is way over my head! The hidden FG 
 button actually throws a JS error when you expose it and click it. The way 
 over my head part comes via:
 
 js/JSmolJME.js
 
 I can see that he’s integrating JSmol with JSME, but I get lost real fast if 
 I try to get down to specifics in the .js file. As usual, Bob’s approach is 
 elegant. It allows very simple communication between JSmol (multiple applets) 
 and  a single JSME applet with this code:
 
 Jmol.show2d(jmol, false)  and Jmol.show2d(jmol, true)
 
 It may be that he is using 300X300 to hide the FG button because of something 
 js/JSmolJME.js is doing that interferes with the button. I vaguely recall 
 (years ago) some warnings from Bob about this implementation of Jmol with JME.
 
 The following JSME template would offer you an alternate approach:
 
 jsmol/jsme/JSME.html
 
 Alternatively, use
 
 http://chemagic.com/molecules/jsme.htm 
 http://chemagic.com/molecules/jsme.htm
 
 It’s stripped down to absolute bare bones. You have to write separate 
 JavaScript to make JSmol and JSME talk to each other, but the JSME and JSmol 
 functions are there to do that - Jmol functions that were not in place when 
 Jmol first started using JME. Back then I was using a clumsy Jmol load-data 
 approach. Jmol 2015 vs Jmol 2008: Thanks in large part to Bob, it’s come a 
 long way.
 
 Otis
 
 
 
 On Jun 17, 2015, at 4:50 PM, Philip Bays pb...@saintmarys.edu 
 mailto:pb...@saintmarys.edu wrote:
 
 OK.   I have found the source of my issue, but not the solution yet.   
 Please note the jsmoljsmetest2 file in the distribution.  If you edit the 
 file to expand the width to 400, you see the FG button.  But if you try to 
 use this applet, none of the vertical buttons work, nor does the FG.   Since 
 I was using that as my coding pattern, I reproduced the problem.   Now to 
 look at it in more detail tomorrow.
 
 
 
 
 On Jun 17, 2015, at 3:58 PM, Otis Rothenberger osrot...@chemagic.com 
 mailto:osrot...@chemagic.com wrote:
 
 Phil,
 
 Nah, Bob just likes squares! The JSME applet needs to be 400X300 to see all 
 the buttons. The 300X300 applet just cuts off the buttons after cyclooctane.
 
 You could definitely teak the old JME FG button. Again this goes back to 
 JME Java applet. In fact, it was not a button. It was a JavaScript drop 
 down menu that could be modified by some type of cookie structure that 
 remembered your drop entries. This is where I got the idea of using Local 
 Storage to store JME structures. Users can store 50 JME structures in our 
 application page that I linked to earlier.
 
 Otis
 
 
 
 On Jun 17, 2015, at 3:33 PM, Philip Bays pb...@saintmarys.edu 
 mailto:pb...@saintmarys.edu wrote:
 
 If you look at some of Bob’s examples, you will find that they are biasing 
 some of the buttons, including FG.  I vaguely recall that there was a way 
 to turn them on and off.
 
 
 On Jun 17, 2015, at 2:21 PM, Otis Rothenberger osrot...@chemagic.com 
 mailto:osrot...@chemagic.com wrote:
 
 There is no option setting for FG, it should just be there. At least I 
 think that’s the case. You can check my options in the above JSME page.
 
 Philip Bays
 Emeritus Professor of Chemistry
 Saint Mary's College
 Notre Dame, IN 46556
 pb...@saintmarys.edu mailto:pb...@saintmarys.edu
 
 
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[Jmol-users] JSME Qestion

2015-06-17 Thread Philip Bays
I am working with Jmol and Jsme.   I cannot find some information about jsme 
and wonder if someone has a link.   I see the files in the jmol distribution 
and have jsme running on several pages.  However, in most of Bob’s examples he 
does not show the FG button.  I want that and have it displayed.   But I 
apparently do not have it set to be active. Is this specified in the options, 
and if so, how? Any help?

Phil

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Saint Mary's College
Notre Dame, IN 46556
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Re: [Jmol-users] JSME Qestion

2015-06-17 Thread Philip Bays
OK.   I have found the source of my issue, but not the solution yet.   Please 
note the jsmoljsmetest2 file in the distribution.  If you edit the file to 
expand the width to 400, you see the FG button.  But if you try to use this 
applet, none of the vertical buttons work, nor does the FG.   Since I was using 
that as my coding pattern, I reproduced the problem.   Now to look at it in 
more detail tomorrow.




 On Jun 17, 2015, at 3:58 PM, Otis Rothenberger osrot...@chemagic.com wrote:
 
 Phil,
 
 Nah, Bob just likes squares! The JSME applet needs to be 400X300 to see all 
 the buttons. The 300X300 applet just cuts off the buttons after cyclooctane.
 
 You could definitely teak the old JME FG button. Again this goes back to JME 
 Java applet. In fact, it was not a button. It was a JavaScript drop down menu 
 that could be modified by some type of cookie structure that remembered your 
 drop entries. This is where I got the idea of using Local Storage to store 
 JME structures. Users can store 50 JME structures in our application page 
 that I linked to earlier.
 
 Otis
 
 
 
 On Jun 17, 2015, at 3:33 PM, Philip Bays pb...@saintmarys.edu 
 mailto:pb...@saintmarys.edu wrote:
 
 If you look at some of Bob’s examples, you will find that they are biasing 
 some of the buttons, including FG.  I vaguely recall that there was a way to 
 turn them on and off.
 
 
 On Jun 17, 2015, at 2:21 PM, Otis Rothenberger osrot...@chemagic.com 
 mailto:osrot...@chemagic.com wrote:
 
 There is no option setting for FG, it should just be there. At least I 
 think that’s the case. You can check my options in the above JSME page.
 
 Philip Bays
 Emeritus Professor of Chemistry
 Saint Mary's College
 Notre Dame, IN 46556
 pb...@saintmarys.edu mailto:pb...@saintmarys.edu
 
 
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Re: [Jmol-users] JSmol use tops 5,000,000 page views per year

2015-04-06 Thread Philip Bays
Bob:   Your link does not work.  File not found error.


 On Apr 6, 2015, at 8:15 AM, Robert Hanson hans...@stolaf.edu wrote:
 
 [reposting]
 
 FYI   
 http://chemapps.stolaf.edu/jmol/img/JSmol-stats-2014-03-31_2015-04-01.png 
 http://chemapps.stolaf.edu/jmol/img/JSmol-stats-2014-03-31_2015-04-01.png
 
 From April 1, 2014 to Mar 31, 2015, the Google Analytics tag in the JSmol 
 distribution has recorded 5,666,193 page views and 2,291,928 sessions. There 
 is close to a doubling of use since this time last year (87% increase in page 
 views and 78% increase in session count comparing March of 2015 vs March of 
 2014), but some of that is probably attributable to a higher rate of 
 conversion to JavaScript from Java last year than this year. 
 
 I wish I had time to dig deeper into this, but for now that's all I have. 
 Just thought this list might be interested. 
 
 Feel free to post that image or use it in any way you wish. 
 
 Bob
 
 
 
 -- 
 Robert M. Hanson
 Larson-Anderson Professor of Chemistry
 Chair, Department of Chemistry
 St. Olaf College
 Northfield, MN
 http://www.stolaf.edu/people/hansonr http://www.stolaf.edu/people/hansonr
 
 
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Re: [Jmol-users] reset lighting

2014-12-17 Thread Philip Bays
I note today that with the 12.09 release and 12.16 release, I am not getting 
structures from NCI. I think the former worked earlier.  Is this a Jmol or NCI 
issue?


 On Dec 16, 2014, at 9:55 PM, Robert Hanson hans...@stolaf.edu wrote:
 
 See http://chemapps.stolaf.edu/jmol/zip/jmol-14.3.11_2014.12.16.zip 
 http://chemapps.stolaf.edu/jmol/zip/jmol-14.3.11_2014.12.16.zip
 
 JmolVersion=14.3.11_2014.12.15
 
 new feature: reset LIGHTING
 
   public void resetLighting() {
 vwr.setIntProperty(ambientPercent,  45);
 vwr.setIntProperty(celShadingPower, 10);  
 vwr.setIntProperty(diffusePercent,  84);
 vwr.setIntProperty(phongExponent,   64);
 vwr.setIntProperty(specularExponent, 6); // log2 of phongExponent
 vwr.setIntProperty(specularPercent, 22);
 vwr.setIntProperty(specularPower,   40);
 vwr.setIntProperty(zDepth,   0);
 vwr.setIntProperty(zShadePower,  3);
 vwr.setIntProperty(zSlab,   50);
 
 vwr.setBooleanProperty(specular,true);
 vwr.setBooleanProperty(celShading, false);
 vwr.setBooleanProperty(zshade, false);
   }
 
 
 
 
 On Tue, Dec 9, 2014 at 8:33 PM, Eric Martz ema...@microbio.umass.edu 
 mailto:ema...@microbio.umass.edu wrote:
 It seems to me that (low priority) a 'reset lighting' would be useful.
 It would set all lighting parameters to their defaults.
 
 Eric
 
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 St. Olaf College
 Northfield, MN
 http://www.stolaf.edu/people/hansonr http://www.stolaf.edu/people/hansonr
 
 
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Re: [Jmol-users] Safari reloading JSmol over and over

2014-11-19 Thread Philip Bays
. Certainly that must run far deeper than Jmol. Not much we can do 
 about that. 
 
 A bad week for Apple, perhaps. 
 
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 Eric Martz mailto:ema...@microbio.umass.edu   September 29, 2014 at 
 6:20 PM
 With JSmol (either at Proteopedia JSmol 14.3.5_2014.08.09, or 
 FirstGlance JSmol 14.3.7_2014.09.20), using Safari 7.1 in OS 10.9.5, 
 fairly often the browser window suddenly goes blank white and a gray bar 
 appears at the top saying
 
 A problem occurred with this webpage so it was reloaded
 
 A small window appears with OK to send a report to Apple.
 
 The page is reloaded and appears fine until the next problem a few 
 minutes later.
 
 I have seen this dozens of times in recent weeks with FirstGlance and 
 once now with Proteopedia. I don't think I saw it with the previous 
 version of Safari, 7.0.
 
 I have not seen this (yet?) in Firefox or Chrome.
 
 Is anyone else seeing this?
 
 -Eric
 
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Re: [Jmol-users] Local File Access

2014-09-04 Thread Philip Bays

On Sep 4, 2014, at 6:47 AM, Robert Hanson hans...@stolaf.edu wrote:

 What was the final word on the 6/28 8/25 issue?


The situation for me is this.  I am using OSX 10.9.4 with the latest versions 
of Safari (7.0.6) and Chrome.
As we have seen elsewhere, Chrome will not launch test2 from the desktop in 
either edition of jmolJS.  I have not tried Otis’ workaround.

Safari (and related browsers) is a different issue.  test2.htm will launch fine 
locally in the 6/28 version, but will not in any subsequent version, including 
8/25.  Disabling local file restrictions in the developer menu allows it to run.

I have copied the alert I get when it fails and will send it to you off-line as 
an attachment.

Phil



Philip Bays
Emeritus Professor of Chemistry
Saint Mary's College
Notre Dame, IN 46556
pb...@saintmarys.edu


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Re: [Jmol-users] Running JSmol Locally on Mac Chrome

2014-09-04 Thread Philip Bays
Angel and Otis:

I would only comment that you need not go to the preferences in Safari as per 
Otis’ instructions.  Once you have the browser open, simply go to the Develop 
menu and set turn the local file restrictions off.  The launch you html file.

Phil



On Sep 4, 2014, at 2:47 PM, Angel Herráez angel.herr...@uah.es wrote:

 Otis,
 I've added your info in
 http://wiki.jmol.org/index.php/Jmol_JavaScript_Object#Chrome.2FMac
 
 Please check if it's ok
 Thanks
 
 
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Re: [Jmol-users] Local File Access

2014-09-03 Thread Philip Bays
Thanks.  That solves the issue for Safari and newer jmol versions.   However, I 
still do not understand the problem in this sense: the release of 6/28 works 
fine without having to make the file restrictions change, but the 8/25 version 
does not. Same version of OS and Safari.  Has something changed in jmol in the 
intervening time that causes that, or is it something else?

In addition, I have moved copies of booth versions to my website.  In this 
case, accessing from home,6/28/test2 works, but I get a permissions error for 
8/25.   Still working to see what is different.


The links I am trying to access via the web are: 
www.saintmarys.edu/~pbays/jmol0628/jsmol/test2.htm
www.saintmarys.edu/~pbays/jmol0825/jsmol/test2.htm

Phil


On Sep 3, 2014, at 9:07 AM, Otis Rothenberger osrot...@chemagic.com wrote:

 ​Hi Phil,
 
 ​In Safari Preferences, go to Advanced and check Show Develop menu in menu 
 bar.
 
 In the resulting Develop toolbar drop-down, there is a Disable Local File 
 Restrictions check toggle item. Select this if it is not checked.
 
 On the Chrome (37.0.2062.94 on Mavericks) issue that I wrote about yesterday, 
 there are two ways to avoid the terminal directly if you have some 
 familiarity with the Apple Automator.
 
 Open Automator. Choose Application. Select Utilities. Drag Run AppleScript to 
 the Automator window. Copy/paste one of the following scripts into the 
 resulting text window. Save the app to desktop. Double click OR Drag/Drop htm 
 file depending on approach you selected.
 
 FOR DOUBLE CLICKABLE AUTOMATOR APP
 
 on run {input, parameters}
 do shell script open -a /Applications/Google\\ Chrome.app --args 
 --allow-file-access-from-files
 
 end run
 
 FOR DRAG/DROP AUTOMATOR APP
 
 on run {input, parameters}
 tell application Finder
 
 set filename to input as text
 
 set filepath to POSIX path of filename
 
 end tell
 
 do shell script open /Applications/Google\\ Chrome.app --args 
 --allow-file-access-from-files file:///  filepath
 
 end run
 
 Again, it is most important that Chrome is closed when you do this. If Chrome 
 is open, neither script will work properly. Late night last night. What a 
 weird scripting language! I have not dealt with AppleScript since my first 
 Macintosh LONG ago.
 
 Otis
 
 On Mon, Sep 1, 2014 at 10:07 AM, Philip Bays pb...@saintmarys.edu wrote:
 I think I was the one who raised this issue (#3).  Perhaps I was not clear, 
 or perhaps I am dense. 
 
 I am not talking about the Java applet.   I am trying to launch test2 in 
 Safari with JSmol by double clicking it.  The applet tries to load but then 
 fails.   I see the opportunity in Safari...Preferences…Security to white list 
 various plug-ins: things like Flash, Adobe, Quicktime, etc.   I believe this 
 is where Java also appears if it is on the system.  But I see no preference 
 for JSmol except to “enable javascript”.
 
 What am I missing?
 
 Phil
 
 
 On Wed, Aug 20, 2014 at 1:25 PM, Robert Hanson hans...@stolaf.edu wrote:
 Issue #3  JSmol/Java applet will not run in Safari for local pages  
 (Mavericks OS 10.9.4)
 
 Solution: Open a local page accessing the JSmol/Java and then using 
 Safari...Preferences...Security, enable local file reading
 
 See http://sourceforge.net/p/jmol/mailman/message/31570102/
 
 Outcome: Reloading the page, you should get the standard alerts about running 
 Java applets, then the Jmol applet will start.
 Philip Bays
 Emeritus Professor of Chemistry
 Saint Mary's College
 Notre Dame, IN 46556
 pb...@saintmarys.edu
 
 
 
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Re: [Jmol-users] Local File Access

2014-09-03 Thread Philip Bays
Yes. I got the permission issue resolved. 

J. Philip Bays
Emeritus Professor of Chemistry
Saint Mary's College
Norte Dame, IN

Sent from my iPad

 On Sep 3, 2014, at 11:55 AM, Otis Rothenberger osrot...@chemagic.com 
 wrote:
 
 Phil,
  
 I don't know about the local issue, but both URL's open for me in Chrome and 
 Safari (Version 7.0.6 (9537.78.2)) on Mavericks: OS X 10.9.4 (13E28)
  
 Otis
  
 --
 Otis Rothenberger
 Department of Chemistry
 Illinois State University Normal, IL 61790-4160
 http://chemagic.org
  
 From: Philip Bays pb...@saintmarys.edu
 Sent: Wednesday, September 03, 2014 10:17 AM
 To: Jmol Jmol jmol-users@lists.sourceforge.net
 Subject: Re: [Jmol-users] Local File Access
  
 Thanks.  That solves the issue for Safari and newer jmol versions.   However, 
 I still do not understand the problem in this sense: the release of 6/28 
 works fine without having to make the file restrictions change, but the 8/25 
 version does not. Same version of OS and Safari.  Has something changed in 
 jmol in the intervening time that causes that, or is it something else?
  
 In addition, I have moved copies of booth versions to my website.  In this 
 case, accessing from home,6/28/test2 works, but I get a permissions error for 
 8/25.   Still working to see what is different.
  
  
 The links I am trying to access via the web are: 
 www.saintmarys.edu/~pbays/jmol0628/jsmol/test2.htm
 www.saintmarys.edu/~pbays/jmol0825/jsmol/test2.htm
  
 Phil
  
  
 On Sep 3, 2014, at 9:07 AM, Otis Rothenberger osrot...@chemagic.com wrote:
  
 ?Hi Phil,
  
 ?In Safari Preferences, go to Advanced and check Show Develop menu in menu 
 bar.
  
 In the resulting Develop toolbar drop-down, there is a Disable Local File 
 Restrictions check toggle item. Select this if it is not checked.
  
 On the Chrome (37.0.2062.94 on Mavericks) issue that I wrote about 
 yesterday, there are two ways to avoid the terminal directly if you have 
 some familiarity with the Apple Automator.
  
 Open Automator. Choose Application. Select Utilities. Drag Run AppleScript 
 to the Automator window. Copy/paste one of the following scripts into the 
 resulting text window. Save the app to desktop. Double click OR Drag/Drop 
 htm file depending on approach you selected.
  
 FOR DOUBLE CLICKABLE AUTOMATOR APP
  
 on run {input, parameters}
 do shell script open -a /Applications/Google\\ Chrome.app --args 
 --allow-file-access-from-files
 
 end run
 
 FOR DRAG/DROP AUTOMATOR APP
  
 on run {input, parameters}
 tell application Finder
 
 set filename to input as text
 
 set filepath to POSIX path of filename
 
 end tell
 
 do shell script open /Applications/Google\\ Chrome.app --args 
 --allow-file-access-from-files file:///  filepath
 
 end run
 
 Again, it is most important that Chrome is closed when you do this. If 
 Chrome is open, neither script will work properly. Late night last night. 
 What a weird scripting language! I have not dealt with AppleScript since my 
 first Macintosh LONG ago.
  
 Otis
  
 On Mon, Sep 1, 2014 at 10:07 AM, Philip Bays pb...@saintmarys.edu wrote:
 I think I was the one who raised this issue (#3).  Perhaps I was not clear, 
 or perhaps I am dense. 
  
 I am not talking about the Java applet.   I am trying to launch test2 in 
 Safari with JSmol by double clicking it.  The applet tries to load but then 
 fails.   I see the opportunity in Safari...Preferences…Security to white 
 list various plug-ins: things like Flash, Adobe, Quicktime, etc.   I 
 believe this is where Java also appears if it is on the system.  But I see 
 no preference for JSmol except to “enable javascript”.
  
 What am I missing?
  
 Phil
  
  
 On Wed, Aug 20, 2014 at 1:25 PM, Robert Hanson hans...@stolaf.edu wrote:
 Issue #3  JSmol/Java applet will not run in Safari for local pages  
 (Mavericks OS 10.9.4)
  
 Solution: Open a local page accessing the JSmol/Java and then using 
 Safari...Preferences...Security, enable local file reading
 
 See http://sourceforge.net/p/jmol/mailman/message/31570102/
  
 Outcome: Reloading the page, you should get the standard alerts about 
 running Java applets, then the Jmol applet will start.
 Philip Bays
 Emeritus Professor of Chemistry
 Saint Mary's College
 Notre Dame, IN 46556
 pb...@saintmarys.edu
  
 
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 Emeritus

[Jmol-users] Local File Access

2014-09-01 Thread Philip Bays
I think I was the one who raised this issue (#3).  Perhaps I was not clear, or 
perhaps I am dense. 

I am not talking about the Java applet.   I am trying to launch test2 in Safari 
with JSmol by double clicking it.  The applet tries to load but then fails.   I 
see the opportunity in Safari...Preferences…Security to white list various 
plug-ins: things like Flash, Adobe, Quicktime, etc.   I believe this is where 
Java also appears if it is on the system.  But I see no preference for JSmol 
except to “enable javascript”.

What am I missing?

Phil


On Wed, Aug 20, 2014 at 1:25 PM, Robert Hanson hans...@stolaf.edu wrote:
Issue #3  JSmol/Java applet will not run in Safari for local pages  (Mavericks 
OS 10.9.4)

Solution: Open a local page accessing the JSmol/Java and then using 
Safari...Preferences...Security, enable local file reading

See http://sourceforge.net/p/jmol/mailman/message/31570102/

Outcome: Reloading the page, you should get the standard alerts about running 
Java applets, then the Jmol applet will start.
Philip Bays
Emeritus Professor of Chemistry
Saint Mary's College
Notre Dame, IN 46556
pb...@saintmarys.edu


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Re: [Jmol-users] Test2

2014-08-19 Thread Philip Bays
I am using the latest version of Safari (7.0.6).  Test2 runs locally using 
Firefox and SeaMonkey, but fails with Chrome, Chromium, Opera, and Safari.  I 
have removed Java from my machine, so I cannot test with Jmol.jar.

I will play a little more to see if it works via web access, though someone 
else may be able to answer that faster than I.  Otis?.

Phil

On Aug 19, 2014, at 8:57 AM, Robert Hanson hans...@stolaf.edu wrote:

 Have you recently updated MacOS? It could be that Macs are now blocking local 
 file access by AJAX . What browser are you using?
 
 a) try another browser
 b) note that this is only a local-file problem
 c) look for a way to enable local file access in your browser, for example, 
 on Windows: see
 http://wiki.jmol.org/index.php/Jmol_JavaScript_Object#Current_limitations_of_JSmol
 
 Q: Can you double-click on the Jmol.jar application and see it run? Or do you 
 get a security error there as well?
 
 Bob
 
 
 On Mon, Aug 18, 2014 at 9:25 PM, Philip Bays pb...@saintmarys.edu wrote:
 When I try to launch locally by double clicking test2, I get the following 
 error in the applet load process.
 
   Error: NETWORK_ERR: XMLHttpRequest Exception 101
 
 Mac OS 10.9.4, jmol release …8.17b
 
 
 Phil
 
 Philip Bays
 Emeritus Professor of Chemistry
 Saint Mary's College
 Notre Dame, IN 46556
 pb...@saintmarys.edu
 
 
 
 --
 
 ___
 Jmol-users mailing list
 Jmol-users@lists.sourceforge.net
 https://lists.sourceforge.net/lists/listinfo/jmol-users
 
 
 
 
 -- 
 Robert M. Hanson
 Larson-Anderson Professor of Chemistry
 Chair, Department of Chemistry
 St. Olaf College
 Northfield, MN
 http://www.stolaf.edu/people/hansonr
 
 
 If nature does not answer first what we want,
 it is better to take what answer we get. 
 
 -- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900
 
 --
 ___
 Jmol-users mailing list
 Jmol-users@lists.sourceforge.net
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Re: [Jmol-users] Test2

2014-08-19 Thread Philip Bays
I get the same error on the ….8.03 release.  So perhaps something happened 
between 6.29 and 8.03.  I have been in and out of town so have not been testing 
each release.

Phil


On Aug 19, 2014, at 10:43 AM, Otis Rothenberger osrot...@chemagic.com wrote:

 Phil,
 
 I get this error message with Chrome. Safari Loads test2 OK, BUT I'm using 
 Jmol 14.2.2_2014_06.29. Updating Jmol on one of my servers has become a very 
 slow process, so I have to admit that I'm not keeping up on some of the 
 latest versions. I'll check the latest version, but I thought the 
 14.2.2_2014_06.29 double click information might be useful.
 
 OSX 10.9.4 and Safari 7.0.6 (9537.78.2).
 
 More thoughts on running locally in a subsequent post...
 
 Otis
 
  Philip Bays August 19, 2014 at 10:11 AM
 I am using the latest version of Safari (7.0.6).  Test2 runs locally using 
 Firefox and SeaMonkey, but fails with Chrome, Chromium, Opera, and Safari.  
 I have removed Java from my machine, so I cannot test with Jmol.jar.
 
 I will play a little more to see if it works via web access, though someone 
 else may be able to answer that faster than I.  Otis?.
 
 Phil
 
 
 
 Philip Bays
 Emeritus Professor of Chemistry
 Saint Mary's College
 Notre Dame, IN 46556
 pb...@saintmarys.edu
 
 
 --
 ___
 Jmol-users mailing list
 Jmol-users@lists.sourceforge.net
 https://lists.sourceforge.net/lists/listinfo/jmol-users
  Robert Hanson   August 19, 2014 at 8:57 AM
 Have you recently updated MacOS? It could be that Macs are now blocking 
 local file access by AJAX . What browser are you using?
 
 a) try another browser
 b) note that this is only a local-file problem
 c) look for a way to enable local file access in your browser, for example, 
 on Windows: see
 http://wiki.jmol.org/index.php/Jmol_JavaScript_Object#Current_limitations_of_JSmol
 
 Q: Can you double-click on the Jmol.jar application and see it run? Or do 
 you get a security error there as well?
 
 Bob
 
 
 
 
 
 -- 
 Robert M. Hanson
 Larson-Anderson Professor of Chemistry
 Chair, Department of Chemistry
 St. Olaf College
 Northfield, MN
 http://www.stolaf.edu/people/hansonr
 
 
 If nature does not answer first what we want,
 it is better to take what answer we get. 
 
 -- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900
 
 --
 ___
 Jmol-users mailing list
 Jmol-users@lists.sourceforge.net
 https://lists.sourceforge.net/lists/listinfo/jmol-users
  Philip Bays August 18, 2014 at 10:25 PM
 When I try to launch locally by double clicking test2, I get the following 
 error in the applet load process.
 
  Error: NETWORK_ERR: XMLHttpRequest Exception 101
 
 Mac OS 10.9.4, jmol release …8.17b
 
 
 Phil
 
 Philip Bays
 Emeritus Professor of Chemistry
 Saint Mary's College
 Notre Dame, IN 46556
 pb...@saintmarys.edu
 
 
 --
 ___
 Jmol-users mailing list
 Jmol-users@lists.sourceforge.net
 https://lists.sourceforge.net/lists/listinfo/jmol-users
 
 -- 
 Otis Rothenberger
 o...@chemagic.com
 http://chemagic.com
 
 --
 ___
 Jmol-users mailing list
 Jmol-users@lists.sourceforge.net
 https://lists.sourceforge.net/lists/listinfo/jmol-users

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Emeritus Professor of Chemistry
Saint Mary's College
Notre Dame, IN 46556
pb...@saintmarys.edu


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[Jmol-users] Test2

2014-08-18 Thread Philip Bays
When I try to launch locally by double clicking test2, I get the following 
error in the applet load process.

Error: NETWORK_ERR: XMLHttpRequest Exception 101

Mac OS 10.9.4, jmol release …8.17b


Phil

Philip Bays
Emeritus Professor of Chemistry
Saint Mary's College
Notre Dame, IN 46556
pb...@saintmarys.edu


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Re: [Jmol-users] Survey Question re Run Jmol Locally

2014-07-28 Thread Philip Bays

On Jul 28, 2014, at 10:55 AM, Otis Rothenberger osrot...@chemagic.com wrote:

 I'm putting together a presentation, and I have a question about an issue the 
 comes up from time to time on this list. Specifically, there are questions 
 related to running Jmol locally. Since my main interest is small molecules, I 
 have moved totally to JSmol, but I'm interested in general answers to this 
 multiple choice question:
 
 Why do you want to run Jmol locally?
 
 A) I have local data files that I need to load, BUT I have nothing against 
 requiring user Internet connectivity.

Primarily when I am writing code. It is easier to launch them locally than to 
move them to the campus server for testing.

 
 B) I have local data files that I need to load, AND I want to free my user 
 from Internet connectivity.

No.

 
 C) I want my Jmol pages to act like double clickable applications that do not 
 require a server, BUT I have nothing against requiring user Internet 
 connectivity. 

This is much like A — testing purposes only.

 
 D) I want my Jmol pages to act like double clickable applications that do not 
 require a server, AND I want the Internet totally out of the picture. 

No

 
 E) Other
 
 Thanks in advance for any replies...
 
 Otis  
 -- 
 Otis Rothenberger
 o...@chemagic.com
 http://chemagic.com
 
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Re: [Jmol-users] Jmol 14.1.15 released

2014-05-07 Thread Philip Bays
Bob:  it appears to me that the PubChem links are broken in test2 in today’s 
new version.


On May 7, 2014, at 3:05 AM, Robert Hanson hans...@stolaf.edu wrote:

 ___JmolVersion=14.1.15
 JmolVersion=14.1.15_2014.05.06
 
 bug fix: CIF reader not filtering atoms by element
 bug fix: structure command may not properly remove residues from structures 
 (F. Reichsman)
 bug fix: FRAME n  setting frame to n - 1.  (F. Reichsman)
 bug fix: unitcell {0 0 0};   in state leaves unit cell on
 bug fix: modulation of anisotropic parameters broken
 bug fix: Jana2006 reader does not accept filter MODAVE
 bug fix: msCIF with filter MODAXES=X broken
 
 JmolVersion=14.1.15_2014.05.04
 
 new feature: reset PRINT
   -- clears the output buffer (scriptWait, scriptEcho, evaluateVar
 bug fix: color property x   does not pass script check, so not allowed in web 
 command box
 bug fix: echo @{xxx} may fail
 but fix: print @b fails for referred variable an array
 bug fix: xxx.format(%8.-3p) does not work
 bug fix: [array].format(%8.3p) does not work
 bug fix: PDB Reader skips first ANISOU record
 bug fix: SFTP not supported
 bug fix: fix for measurements not updating with modulation x.x
 
 new feature: replace()
   -- no arguments means clean whitespace to single space and trim
   
 new feature: replace(x, y, TRUE)
   -- all occurrences of characters of x will be replaced with y.
 
 new feature: mCIF reader
   -- Bilbao Crystallographic Server format
   -- magnetic extension to CIF reader
   
 new feature: set vectorsCentered
   -- centers vibration vector on atom
   -- vector is never animated
   -- useful for magnetic/spin properties
 
 new feature: select xyz  1.0
   -- xyz, fxyz, fuxyz, uxyz, vxyz 
   -- uses length

 
 
 -- 
 Robert M. Hanson
 Larson-Anderson Professor of Chemistry
 St. Olaf College
 Northfield, MN
 http://www.stolaf.edu/people/hansonr
 
 
 If nature does not answer first what we want,
 it is better to take what answer we get. 
 
 -- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900
 
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Re: [Jmol-users] Jmol 14.1.14 released

2014-04-30 Thread Philip Bays
But should it ultimately load the structure? It does not.

J. Philip Bays
Emeritus Professor of Chemistry
Saint Mary's College
Norte Dame, IN

Sent from my iPad

 On Apr 30, 2014, at 6:30 PM, Robert Hanson hans...@stolaf.edu wrote:
 
 
 
 
 On Tue, Apr 29, 2014 at 4:01 PM, Philip Bays pb...@saintmarys.edu wrote:
 
 I am now testing from my local network server and still get the errors for 
 the asynchronous file transfer and subsequent unknown file type error in 
 Safari. I have captured an error alert and can send it to you separately if 
 you wish.  But it will be delayed through the list.
 
 That´s not an error, that´s a feature. It is correct to do that with Safari. 
 You are tapping into the St. Olaf page, and you need to know that.
  
 Phil
 
 
   
 On Apr 29, 2014, at 10:58 AM, Robert Hanson hans...@stolaf.edu wrote:
 
 You should always see the alert in Safari, I think, if you are loading 
 those files from a LOCAL installation of JSmol. Or do you see that as well 
 at http://chemapps.stolaf.edu/jmol/jsmol/jsmol.htm ?
 
 
 
 On Tue, Apr 29, 2014 at 9:54 AM, Robert Hanson hans...@stolaf.edu wrote:
 Yes - thanks - just noticed that myself and have removed that release 
 (again!).
 Shoot! I accidentally deleted the url address for NCI in the list of known 
 databases.  I might be able to still get this done today; probably 
 tomorrow.
 
 
 
 On Tue, Apr 29, 2014 at 8:53 AM, Philip Bays pb...@saintmarys.edu wrote:
 Observations on this release:  Mac OSX 10.9.2, Safari 7.0.3, Firefox 28.0 
  (Have not looked at 29.0 released this morning.)
 
 Safari:  NCI links give file format error
Both cyclohexane animations,  mo homo SQUARED, load data/1hxw.png 
 (image), load data/square_planar.spartan , and load data/water.xyz.gz 
   These are preceded by the asynchronous file alert. 

 Firefox:  NCI links do not work here either
 All others seem to work well
 
   
 On Apr 28, 2014, at 11:56 PM, Robert Hanson hans...@stolaf.edu wrote:
 
 OK, this is re-released. Please test. I would like to release it as 
 14.0.14 soon. 
 I did not check the Safari synchronous file transfer business.
 
 http://sourceforge.net/projects/jmol/files/Jmol-beta/Jmol%2014.1/Jmol%2014.1.14
 
 ​
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 Jmol-users mailing list
 Jmol-users@lists.sourceforge.net
 https://lists.sourceforge.net/lists/listinfo/jmol-users
 
 Philip Bays
 Emeritus Professor of Chemistry
 Saint Mary's College
 Notre Dame, IN 46556
 pb...@saintmarys.edu
 
 
 
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 ___
 Jmol-users mailing list
 Jmol-users@lists.sourceforge.net
 https://lists.sourceforge.net/lists/listinfo/jmol-users
 
 
 
 -- 
 Robert M. Hanson
 Larson-Anderson Professor of Chemistry
 St. Olaf College
 Northfield, MN
 http://www.stolaf.edu/people/hansonr
 
 
 If nature does not answer first what we want,
 it is better to take what answer we get. 
 
 -- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900
 
 
 
 -- 
 Robert M. Hanson
 Larson-Anderson Professor of Chemistry
 St. Olaf College
 Northfield, MN
 http://www.stolaf.edu/people/hansonr
 
 
 If nature does not answer first what we want,
 it is better to take what answer we get. 
 
 -- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900
 
 --
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 pb...@saintmarys.edu
 
 
 
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Re: [Jmol-users] Jmol 14.1.14 released

2014-04-29 Thread Philip Bays
Observations on this release:  Mac OSX 10.9.2, Safari 7.0.3, Firefox 28.0  
(Have not looked at 29.0 released this morning.)

Safari:  NCI links give file format error
 Both cyclohexane animations,  mo homo SQUARED, load data/1hxw.png 
(image), load data/square_planar.spartan , and load data/water.xyz.gz 
These are preceded by the asynchronous file alert. 
 
Firefox:  NCI links do not work here either
  All others seem to work well


On Apr 28, 2014, at 11:56 PM, Robert Hanson hans...@stolaf.edu wrote:

 OK, this is re-released. Please test. I would like to release it as 14.0.14 
 soon. 
 I did not check the Safari synchronous file transfer business.
 
 http://sourceforge.net/projects/jmol/files/Jmol-beta/Jmol%2014.1/Jmol%2014.1.14
 
 ​
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Re: [Jmol-users] Jmol 14.1.14 released

2014-04-29 Thread Philip Bays
Bob:

I do not see those issues on the link you provided, but I note that is using an 
earlier version of JSmol.  This morning I was doing a local launch of test2.  I 
downloaded the fix (from the airport) and that works fine for Firefox (now 
29.0) and the NCI links now work in both Safari and Firefox.  

I am now testing from my local network server and still get the errors for the 
asynchronous file transfer and subsequent unknown file type error in Safari. I 
have captured an error alert and can send it to you separately if you wish.  
But it will be delayed through the list.

Phil


  
On Apr 29, 2014, at 10:58 AM, Robert Hanson hans...@stolaf.edu wrote:

 You should always see the alert in Safari, I think, if you are loading those 
 files from a LOCAL installation of JSmol. Or do you see that as well at 
 http://chemapps.stolaf.edu/jmol/jsmol/jsmol.htm ?
 
 
 
 On Tue, Apr 29, 2014 at 9:54 AM, Robert Hanson hans...@stolaf.edu wrote:
 Yes - thanks - just noticed that myself and have removed that release 
 (again!).
 Shoot! I accidentally deleted the url address for NCI in the list of known 
 databases.  I might be able to still get this done today; probably tomorrow.
 
 
 
 On Tue, Apr 29, 2014 at 8:53 AM, Philip Bays pb...@saintmarys.edu wrote:
 Observations on this release:  Mac OSX 10.9.2, Safari 7.0.3, Firefox 28.0  
 (Have not looked at 29.0 released this morning.)
 
 Safari:  NCI links give file format error
Both cyclohexane animations,  mo homo SQUARED, load data/1hxw.png 
 (image), load data/square_planar.spartan , and load data/water.xyz.gz 
   These are preceded by the asynchronous file alert. 

 Firefox:  NCI links do not work here either
 All others seem to work well
 
   
 On Apr 28, 2014, at 11:56 PM, Robert Hanson hans...@stolaf.edu wrote:
 
 OK, this is re-released. Please test. I would like to release it as 14.0.14 
 soon. 
 I did not check the Safari synchronous file transfer business.
 
 http://sourceforge.net/projects/jmol/files/Jmol-beta/Jmol%2014.1/Jmol%2014.1.14
 
 ​
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 Jmol-users mailing list
 Jmol-users@lists.sourceforge.net
 https://lists.sourceforge.net/lists/listinfo/jmol-users
 
 Philip Bays
 Emeritus Professor of Chemistry
 Saint Mary's College
 Notre Dame, IN 46556
 pb...@saintmarys.edu
 
 
 
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 ___
 Jmol-users mailing list
 Jmol-users@lists.sourceforge.net
 https://lists.sourceforge.net/lists/listinfo/jmol-users
 
 
 
 
 -- 
 Robert M. Hanson
 Larson-Anderson Professor of Chemistry
 St. Olaf College
 Northfield, MN
 http://www.stolaf.edu/people/hansonr
 
 
 If nature does not answer first what we want,
 it is better to take what answer we get. 
 
 -- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900
 
 
 
 
 -- 
 Robert M. Hanson
 Larson-Anderson Professor of Chemistry
 St. Olaf College
 Northfield, MN
 http://www.stolaf.edu/people/hansonr
 
 
 If nature does not answer first what we want,
 it is better to take what answer we get. 
 
 -- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900
 
 --
 Accelerate Dev Cycles with Automated Cross-Browser Testing - For FREE
 Instantly run your Selenium tests across 300+ browser/OS combos.  Get 
 unparalleled scalability from the best Selenium testing platform available.
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Philip Bays
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Saint Mary's College
Notre Dame, IN 46556
pb...@saintmarys.edu


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Re: [Jmol-users] Jmol 14.1.14 released

2014-04-26 Thread Philip Bays
 isosurface range broken (Lucy Cusinato)
 bug fix: script compiler error: x.x*x.x requiring space: x.x * x.x (Alexander 
 Rose)
 bug fix: lost H atoms of PDB-designated water
 bug fix: mouse rotation can cause loss of model
 bug fix: Jana2006 reader not reading groups correctly (still work TODO)
 bug fix: functions called in script defined by script called by this script
  must be lower case.
 bug fix: clickable atoms may not be considered visible for hover
 bug fix: select color=red  should be   color=red  to allow
  for variable after color=
 
 code: upgrade of Apache Commons CLI (Command Line Interface) to 1.2 from 1.0
 
 code: T4 generalized as extending T3, allowing 4D mesh reading.
 code: implementation of Andrew Hanson's 3D Ball Roll mouse algorithm
   -- no significant practical improvement, but nicer mathematics
   -- a bit more involved, but this is once per mouse move. Doesn't matter.
   
 
 
 -- 
 Robert M. Hanson
 Larson-Anderson Professor of Chemistry
 St. Olaf College
 Northfield, MN
 http://www.stolaf.edu/people/hansonr
 
 
 If nature does not answer first what we want,
 it is better to take what answer we get. 
 
 -- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900
 
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Re: [Jmol-users] Problem with Test2.htm CONFIRMATION

2014-04-13 Thread Philip Bays
I see the same issue on my iMac running 10.9.2, Safari 7.0.3 or Firefox 27.0.1 
and JSmol ….4.10 running locally or over the network.Have not tried other 
browsers.  It’s as if something is going on in the background.  For me the 
manipulation of the structure is quite jerky, freezes, then is jerky, and 
finally disappears.

I am having a different issue with Safari as well.  I run a local network at 
home.  All browsers work fine using [network name].local/~[account name]/  
except for Safari.   I get a “cannot connect to server error”.  I am required 
to use the ip address approach as the URL.  This arose with OSX 9.2. All other 
browsers are fine using the local network name, and I can access it with a PC 
or my iPad using the network name.


On Apr 13, 2014, at 9:56 PM, Otis Rothenberger osrot...@chemagic.com wrote:

 I'm running 14.1.12_2014.3.21 and it's OK Mac Safari, Chrome, and Firefox. 
 This is OS 10.9.2 Mavericks.
 
 I've been keeping a close eye on iPad, and this version of JSmol runs really 
 well on iPad Air and iPad 2.
 
 Otis
 --
 Otis Rothenberger
 o...@chemagic.com
 http://chemagic.com
 
 
 On Apr 13, 2014, at 8:05 PM, Eric Martz ema...@microbio.umass.edu wrote:
 
 From the online URL http://chemapps.stolaf.edu/jmol/jsmol/test2.htm
 
 In addition to Firefox, I also see the disappearance with slight 
 rotation in Safari and Chrome (again, on Mac OS 10.9.1 Mavericks).
 
 Those browsers will not run test2.htm from local files (network error 
 is reported), so I can only test them from the server.
 
 Eric
 
 
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Re: [Jmol-users] Mac Local

2014-02-17 Thread Philip Bays
Bob:

Not sure what you are asking.  Do you want to set up a local server on the back 
that is accessed from that mac or anyone on the local network?

Phil

On Feb 17, 2014, at 5:22 PM, Robert Hanson hans...@stolaf.edu wrote:

 Can some one summarize for me what the instructions are for getting Safari or 
 Firefox on a Mac reading local files?
 
 http://wiki.jmol.org/index.php/Jmol_Applet_Deployment_Local#Browser_considerations_for_local_file_access_.28JSmol.29
 
 needs completion.
 
 Bob
 
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Re: [Jmol-users] Mac Local

2014-02-17 Thread Philip Bays
Try this:

https://discussions.apple.com/docs/DOC-3083


On Feb 17, 2014, at 5:22 PM, Robert Hanson hans...@stolaf.edu wrote:

 Can some one summarize for me what the instructions are for getting Safari or 
 Firefox on a Mac reading local files?
 
 http://wiki.jmol.org/index.php/Jmol_Applet_Deployment_Local#Browser_considerations_for_local_file_access_.28JSmol.29
 
 needs completion.
 
 Bob
 
 -- 
 Robert M. Hanson
 Larson-Anderson Professor of Chemistry
 St. Olaf College
 Northfield, MN
 http://www.stolaf.edu/people/hansonr
 
 
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 it is better to take what answer we get. 
 
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Re: [Jmol-users] JSmol broken on Mac Safari back button

2014-01-30 Thread Philip Bays
Two comments:

I see the difference that you do except that the applet works fine in Safari 
when I come back to the page.  That is, I do not see a broken applet, it is 
just not refreshed.  (Mac OS 10.9.1)

I thought that the Safari behavior was the normal for the back button.   I hate 
it when I am reading and article, click a link to another page, and then when I 
come back to the original, the page reloads and I have to search for where I 
was.


On Jan 30, 2014, at 3:32 AM, Jaime Prilusky jaime.prilu...@weizmann.ac.il 
wrote:

 Is there a way to force loading JSmol when loading/rendering a page? JQuery 
 should be able to do this. 
 
 This is why we might need to start with a fresh loaded JSmol: When clicking a 
 ‘back to previous page’ button on On Mac 10.9.1, Safari 7.0.1, JSmol renders 
 non-operational. On Firefox 26.0, same Mac, it works Ok.
 
 To test (better than the previous explanation):
 
 1. go to http://proteopedia.org/w/3rec
 
 2. verify if JSmol is working, ie mouse rotates model, zooms, etc.
 
 3. go to another page by clicking a link, like ‘About Proteopedia’ in the 
 bottom mid section
 
 4. click on the browser’s ‘back to previous page’ button to display again the 
 page 3rec
 
 5. verify if JSmol is working, ie mouse rotates model, zooms, etc.
 
 The main difference is that Firefox actually reloads JSmol on page back. 
 Safari simply tries to work with what’s available, rendering a broken applet.
 
 Jaim
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Re: [Jmol-users] Question: How is Info intended to be used?

2014-01-28 Thread Philip Bays
Did I send you the article about the moss in Northern Canada?


On Jan 28, 2014, at 12:54 PM, Otis Rothenberger osrot...@chemagic.com wrote:

 Chuck and Angle,
 
 I think I'm in basic agreement with Angle. I look at this as a scratch pad 
 per the following JS function:
 
   function scratchPad(header, content) {
   header = (!header) ?  : header;
   content = (!content) ?  : content;
   if (header ==   content == ) { Jmol.setInfo(jmolApplet0, 
 content, false); return null; }
   jmolApplet0._infoHeader = header;
   Jmol.setInfo(jmolApplet0, content, true);
   return null;
   }
 
 I write to it as needed using the above - e.g. display pdb header or pdb 
 content. Storage of a given content/header pair would have to be in some type 
 of global variable. Long term storage would have to be server side, although 
 for small bits of information I've used cookies.
 
 Only because I found out the hard way, 10 cholesterol molfile cookies will 
 break the cookie jar. I did not realize what a pain a broken cookie jar could 
 be for the user!
 
 Otis
 
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 On Jan 28, 2014, at 12:16 PM, Angel Herráez angel.herr...@uah.es wrote:
 
 Hi, Chuck
 
 this is how I see it (but I may not be right)
 
 There is not your variable and Jmol's variable. The single Info 
 variable belongs to the Jmol Object once you invoke getApplet.
 
 What you do is initialize some values/parameters that are part of the 
 Info variable (which is more properly a Javascript object with many 
 name/value pairs). Jmol has defaults for all of them and will change 
 just the ones you state.
 So I am not suprised at all that Jmol writes in the Info variable.
 
 In summary
 1. a single Info variable
 2. has defaults for all its properties or parts or parameters
 3. the defaults are overwritten by your data
 4. Jmol will be using all the time the single Info variable
 
 
 Ah, of course if you have two Jmols they may use separate Infos, 
 that's why you need to assign Info in the Jmol.getApplet() call.
 
 
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Re: [Jmol-users] Jmol 14.0.6 released

2014-01-21 Thread Philip Bays
Bob:
As I recall, several years ago you wrote the java applet to compare -smiles 
strings.  The issue for me before that came along was that drawing a structure 
in JME could result in more than one “correct” smiles string, depending on how 
it was drawn, particularly in regards to stereochemistry. (Sorry for that 
sentence!!)  I do not know if that is still an issue or not, but would like to 
know.


On Jan 21, 2014, at 3:06 PM, Robert Hanson hans...@stolaf.edu wrote:

 Why not just use Jmol's SMILES and SMARTS matching? Certainly there is no 
 need to go get an InChIkey for that, right? Just match the JME or Jmol 
 structure with a representative SMILES string or with each other's SMILES 
 string. Why the interest in InChI or InChIKey? 

Philip Bays
Emeritus Professor of Chemistry
Saint Mary's College
Notre Dame, IN 46556
pb...@saintmarys.edu


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Re: [Jmol-users] Will unsigned applet be blocked soon?

2013-12-30 Thread Philip Bays
Henry:

I am using the same OS but downloaded last evening’s release of jmol (14.0.3).  
I test using my sites local network server on an iMac, which should behave like 
an outside server.  My test was to access test2.htm in the jsmol directory.  It 
runs fine with HTML5 and the signed applet. But does not do so when simply 
launched as a file.  I did have to change permissions on the jmol directory.

In my java console (security tabmanage certificates, I see the Integrated 
Graphics certificate as trusted  (That has been true since originally specified 
several iterations of jmol ago.

However, when I try your link, I get the same results as you do.

 
On Dec 30, 2013, at 8:25 AM, Rzepa, Henry S h.rz...@imperial.ac.uk wrote:

 
 On 29 Dec 2013, at 20:00, Robert Hanson hans...@stolaf.edu wrote:
 
 I'm guessing  it will be January 14:
 
 https://blogs.oracle.com/java-platform-group/entry/new_security_requirements_for_rias
 http://www.oracle.com/technetwork/topics/security/alerts-086861.html
 
 As I understand it, all applets must be updated. signed or not -- all must 
 be signed, and local file reading now requires the JNLP files as well in the 
 directory of the JAR files. (Note that these JNLP files allow the applet to 
 be started outside a browser as well.)
 
 Using  Jmol  14.0.2 (14th December) uploaded to a server,  I can indeed no 
 longer get the applet to load (OS X Mavericks/Safari or Firefox). 
 
 Application blocked by security settings”. 
 
 It also  (falsely) tells me that the  Java security settings have prevented 
 this application from running. You may change this behaviour in the Java 
 control panel”.  Well,  I could not.  This did not happen with eg 13.3.9.
 
 There are four  JNLP files in this build of  Jmol in the  Java directory  
 (including eg JmolApplet.jnlp and JmolAppletSigned.jnlp), but their presence 
 has not prevented the above message.
 
 Am struggling slightly.  
 
 Could it be that our  Apache server has no  MIMEtype defined for  JNLP?
 Or that  OS X Mavericks Java is broken in this regard?
 Or that some other configuration which  I  have omitted is needed?
 
 The relevant page is http://www.ch.ic.ac.uk/rzepa/WEO/ja061400a/?JAVA  (which 
 is an ancient page from  ~2007 which  I thought  I might try to rescue).
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Re: [Jmol-users] another Mac surprise

2013-12-30 Thread J. Philip Bays
I would think that they both rely on the java console.  I wonder what is
going on with that?


On Mon, Dec 30, 2013 at 4:27 PM, Robert Hanson hans...@stolaf.edu wrote:

 It appears that Safari has a very strange feature -- at least on my
 machine, everything works fine using http, but with file://, if I download
 Jmol, open the zip file, extract the jsmol directory, and start
 simple2.htm, and immediately clicking on the Signed link to get the
 signed version, the applet fails to load.

 However, if I first open the applet in Firefox, then Safari will open it.
 If Safari has opened the file, and I change the directory name, then the
 next time I try this, Safari will not start the applet. However, if I then
 open that local page in Firefox and then try again in Safari, all is good.

 What could possibly be going on? I don't know. But the fact that this is a
 new problem suggested to me that it's something recent. I remembered that
 recently I changed Safari settings to using the applet tag instead of
 object. Well, guess what? When I switch back to using the object tag,
 everything works normally. No directory problems; no load issues. Go
 figure.

 For whatever reason, it looks like we cannot use the applet tag in
 Safari. I'm sure I had a reason for switching to that, but I can't remember
 that.

 Bob



 --
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Re: [Jmol-users] another Mac surprise

2013-12-30 Thread Philip Bays
I was having a problem this afternoon with some debugging.  I typically disable 
cache in the developer menu, and use private browsing.   nevertheless, I would 
make a change in my code and the change was not reflected in the browser 
reload.  In fact, I had a line that called on a nonexistent function.  I 
deleted the line, but it kept appearing in the error messages.  Somehow, Safari 
was caching when it was not supposed to be.  I did not have time to explore it 
further, but will tomorrow and see if I can reproduce it.  I did not try 
loading with Firefox and then again with Safari.


On Dec 30, 2013, at 7:48 PM, Otis Rothenberger osrot...@chemagic.com wrote:

 Phil,
 
 Exactly. That's what I'm thinking. Safari won't cache it, but it will pull it 
 from cache.
 
 Otis
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 On Dec 30, 2013, at 7:28 PM, J. Philip Bays pb...@saintmarys.edu wrote:
 
 I would think that they both rely on the java console.  I wonder what is 
 going on with that?
 
 
 On Mon, Dec 30, 2013 at 4:27 PM, Robert Hanson hans...@stolaf.edu wrote:
 It appears that Safari has a very strange feature -- at least on my 
 machine, everything works fine using http, but with file://, if I download 
 Jmol, open the zip file, extract the jsmol directory, and start simple2.htm, 
 and immediately clicking on the Signed link to get the signed version, the 
 applet fails to load. 
 
 However, if I first open the applet in Firefox, then Safari will open it. 
 If Safari has opened the file, and I change the directory name, then the 
 next time I try this, Safari will not start the applet. However, if I then 
 open that local page in Firefox and then try again in Safari, all is good. 
 
 What could possibly be going on? I don't know. But the fact that this is a 
 new problem suggested to me that it's something recent. I remembered that 
 recently I changed Safari settings to using the applet tag instead of 
 object. Well, guess what? When I switch back to using the object tag, 
 everything works normally. No directory problems; no load issues. Go figure. 
 
 For whatever reason, it looks like we cannot use the applet tag in Safari. 
 I'm sure I had a reason for switching to that, but I can't remember that.
 
 Bob
 
 
 
 
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[Jmol-users] iPad reserved term

2013-12-28 Thread Philip Bays
One of my tutorials which does not involve jmol and has run for many years on 
all sorts of computerist and OS's, fails to run correctly on the iPad.  I have 
tested it one early and late models and versions of iOS.  I was looking at the 
code this week to try to figure out why and narrowed the issue down to a 
declared global array which was not being read.  My son and I then tried to 
figure out why — clearly read on anything but an iPad on which it returns 
“undefined.  On a whim he changed the name of the array and all dependencies; 
things worked.

The array was originally named: orientation[ ].  It appears that the term 
“orientation” is reserved by iOS for a 90° rotation of the device.  Insert an 
alert using orientation into your javascript and see what happens.

Since we are concerned about molecular orientations, this is a warning to not 
use that term as a variable name in javascript, unless you mean it:-)


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Saint Mary's College
Notre Dame, IN 46556
pb...@saintmarys.edu



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Re: [Jmol-users] JSmol popup menu on an iPad

2013-12-27 Thread Philip Bays
Bob:
That works but the positioning is sometimes barely visible and the menu links 
do not work at all on an iPad. 

J. Philip Bays
Emeritus Professor of Chemistry
Saint Mary's College
Norte Dame, IN

Sent from my iPad

 On Dec 27, 2013, at 1:15 PM, Bob Hanson hans...@stolaf.edu wrote:
 
 Doesn't clicking on the logo work? 
 
 Sent from my stupid iPhone 
 
 On Dec 25, 2013, at 12:31 AM, Rzepa, Henry S h.rz...@imperial.ac.uk 
 wrote:
 
 Whilst the  JSmol menu on a “normal”  computer pops up nicely, there is no 
 “right click” on a tablet.  Is it possible to invoke (set up?) in some other 
 way.
 
 Please excuse if its a  FAQ.
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[Jmol-users] Mavericks Local Server

2013-12-12 Thread Philip Bays
This is primarily addressed to newer jmol Mac users.  For a long time Apple 
provided a web Sharing option in the Sharing control panel.  That disappeared 
a couple of OSX iterations ago.  This allowed you to use the Sites directory in 
your home account as a local network server.

This is handy since it allows you to drag and drop your web pages into the 
Sites directory during development and serve them from there.   If your public 
server is like ours, uploads can take a long time; this is instantaneous  
Furthermore, you can test your site with a variety of devices you may have on 
your local network: my wife’s Windows machine, my iMac (on which the server is 
located) and MacBook Pro, and my iOS devices, for example.  It also by-passes 
the problem of trying to launch the Java applets from your desktop.  That is, 
it works just like your external public server.

It also provides a way to serve your site locally when giving a talk.

Most of you longtime Mac users already know all this.  But, after having done 
it a number of years ago when Apple told you how to do it,  I went through the 
process of setting it up under Mavericks where the web serving option is no 
longer presented.  The following document is the best I found for a 
step-by-step how to:

https://discussions.apple.com/docs/DOC-3083

I would add only a couple additional points.  If, when you get it all set up, 
you have permissions errors trying to access the site, check the permissions 
settings on your home directory and the Sites directory.  Everyone must have 
read access for this to work.

The local host name of your new website is: YourMachineName.local. (I have a 
very complex machine name which is a pain to type in every time I want to 
access the site.) In the sharing panel, you can change that in the edit option 
without changing your machine name.  a.local works just fine.

If you do not want to go to Terminal to turn off and on the apache server, the 
following link gives you a preference pane for doing so.

http://clickontyler.com/web-sharing/

Phil

Philip Bays
Emeritus Professor of Chemistry
Saint Mary's College
Notre Dame, IN 46556
pb...@saintmarys.edu


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Re: [Jmol-users] final(?) testing: jmol-13.3.9_2013.12.03b

2013-12-04 Thread Philip Bays

On Dec 4, 2013, at 12:50 AM, Robert Hanson hans...@stolaf.edu wrote:

 http://chemapps.stolaf.edu/jmol/zip/jmol-13.3.9_2013.12.03b.zip
   -- local installations

Get file format errors loading structures from NCI

 
 http://chemapps.stolaf.edu/jmol/jsmol/jsmol.htm
   -- general HTML5 operation

Get file format errors loading structures from NCI


 
 http://chemapps.stolaf.edu/jmol/jsmol/simple2.htm
  --- file loading

Get file format errors loading structures from NCIe

  --- image creation

This loads the various images of cyclohexane


  --- command-line entry with immediate script checking feedback and up-down 
 arrow key history navigation
 

I am not a “scripter yet:-(


 See what you can find!
 
 Bob
 
 -- 
 Robert M. Hanson
 Larson-Anderson Professor of Chemistry
 St. Olaf College
 Northfield, MN
 http://www.stolaf.edu/people/hansonr
 
 
 If nature does not answer first what we want,
 it is better to take what answer we get. 
 
 -- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900
 
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Re: [Jmol-users] progress ... ?

2013-12-03 Thread Philip Bays
Unfortunately, neither work with Safari.  jsmol loads the applet only if the 
error console is open.  Without that, a null pointer is reported.  I can send 
you the message, but I think we have see it before.

I can’t get simple2 to do anything.

Test2 loads the HTML applet, but now the java applets seem to load, but not 
display a structure.

If it is any consolation, everything works fine with Safari on my new iPad — 
iOS7.

Like Otis, I went to the Apple site.  I can find no listing for downloading 
Safari 7.  Perhaps we ought to bail on it for the moment to see what they are 
doing in Cupertino.  I may drop by the Apple store today and ask some questions.

Phil

On Dec 3, 2013, at 7:10 AM, Robert Hanson hans...@stolaf.edu wrote:

 Mac testers:
 
 http://chemapps.stolaf.edu/jmol/jsmol/jsmol.htm
 http://chemapps.stolaf.edu/jmol/jsmol/simple2.htm
 
 would be good for this test.
 
 Do check out the new command input box in simple2.htm. It's responsive to 
 each character typed and should have a history buffer accessible with the up- 
 and down-arrow keys. 
 
 Bob
 
 
 
 
 On Tue, Dec 3, 2013 at 6:07 AM, Robert Hanson hans...@stolaf.edu wrote:
 OK, if Safari testers could try that again, I would appreciate it. The  error 
 reports will now mean something, as JSmol.min.js and j2s/core/core.z.js are 
 no longer compressed.
 
 
 On Tue, Dec 3, 2013 at 3:35 AM, Greeves, Nick ngree...@liverpool.ac.uk 
 wrote:
 
 Bob et al,
 
 Using http://chemapps.stolaf.edu/jmol/jsmol/jsmol.htm and Mac OS.
 Firefox is fine, Chrome is fine, Safari 7.0 fails to load the applet. But as 
 has been noted elsewhere http://chemapps.stolaf.edu/jmol/jsmol/test2.htm 
 loads slowly but does work and uses the 2nd Dec version of JSmol. I’m not 
 clear what the difference between jsmol.htm and test2.htm is.
 
 http://chemapps.stolaf.edu/jmol/zip/jmol-13.3.9_2013.12.02b.zip
 http://chemapps.stolaf.edu/jmol/jsmol/jsmol.htm
 -- 
 Robert M. Hanson
 Larson-Anderson Professor of Chemistry
 St. Olaf College
 Northfield, MN
 http://www.stolaf.edu/people/hansonr
 
 Having failed  to load http://chemapps.stolaf.edu/jmol/jsmol/jsmol.htm in 
 Safari I displayed the Safari error console and this is the result
 
 [Error] java.lang.NullPointerException
 (anonymous function) (core.z.js, line 391)
 (anonymous function) (core.z.js, line 2200)
 (anonymous function) (core.z.js, line 2193)
 (anonymous function) (core.z.js, line 2169)
 instantialize (JSmol.min.js, line 347)
 (anonymous function) (core.z.js, line 2168)
 (anonymous function) (core.z.js, line 2218)
 (anonymous function) (core.z.js, line 902)
 (anonymous function) (core.z.js, line 891)
 (anonymous function) (core.z.js, line 882)
 instantialize (JSmol.min.js, line 347)
 (anonymous function) (core.z.js, line 878)
 $fz (GenericApplet.js, line 52)
 (anonymous function) (GenericApplet.js, line 46)
 (anonymous function) (core.z.js, line 495)
 instantialize (JSmol.min.js, line 347)
 (anonymous function) (core.z.js, line 494)
 __startAppletJS (JSmol.min.js, line 260)
 __nextExecution (JSmol.min.js, line 257)
 
 I then reloaded the page with the console active and the page loads fine! 
 Philip has noted similar behaviour, I think.
 
 Best regards
 Nick
 -- 
 Nick Greevesvia OS X Mail
 Director of Teaching and Learning
 Department of Chemistry
 University of Liverpool 
 Donnan and Robert Robinson Laboratories
 Crown Street, LIVERPOOL L69 7ZD U.K.
 Email address:ngree...@liverpool.ac.uk
 WWW Pages:http://www.chemtube3d.com 
 Tel:+44 (0)151-794-3506 (3500 secretary)
 Dept Fax:   +44 (0)151-794-3588
 
 
 
 
 
 
 
 
 
 
 
 -- 
 Robert M. Hanson
 Larson-Anderson Professor of Chemistry
 St. Olaf College
 Northfield, MN
 http://www.stolaf.edu/people/hansonr
 
 
 If nature does not answer first what we want,
 it is better to take what answer we get. 
 
 -- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900
 
 
 
 
 -- 
 Robert M. Hanson
 Larson-Anderson Professor of Chemistry
 St. Olaf College
 Northfield, MN
 http://www.stolaf.edu/people/hansonr
 
 
 If nature does not answer first what we want,
 it is better to take what answer we get. 
 
 -- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900
 
 --
 Rapidly troubleshoot problems before they affect your business. Most IT 
 organizations don't have a clear picture of how application performance 
 affects their revenue. With AppDynamics, you get 100% visibility into your 
 Java,.NET,  PHP application. Start your 15-day FREE TRIAL of AppDynamics Pro!
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Philip Bays
Emeritus Professor of Chemistry
Saint Mary's College
Notre Dame

Re: [Jmol-users] progress ... ?

2013-12-03 Thread Philip Bays
Here it is.

[Error] Failed to load resource: the server responded with a status of 404 (Not 
Found) (favicon.ico, line 0)
[Error] java.lang.NullPointerException
(anonymous function) (core.z.js, line 10826)
(anonymous function) (core.z.js, line 46479)
(anonymous function) (core.z.js, line 46391)
(anonymous function) (core.z.js, line 46117)
instantialize (JSmol.min.js, line 15481)
(anonymous function) (core.z.js, line 46099)
(anonymous function) (core.z.js, line 46786)
(anonymous function) (core.z.js, line 20424)
(anonymous function) (core.z.js, line 20264)
(anonymous function) (core.z.js, line 20143)
instantialize (JSmol.min.js, line 15491)
(anonymous function) (core.z.js, line 20079)
$fz (GenericApplet.js, line 52)
(anonymous function) (GenericApplet.js, line 46)
(anonymous function) (core.z.js, line 13308)
instantialize (JSmol.min.js, line 15491)
(anonymous function) (core.z.js, line 13293)
__startAppletJS (JSmol.min.js, line 11982)
__nextExecution (JSmol.min.js, line 11911)


On Dec 3, 2013, at 8:39 AM, Robert Hanson hans...@stolaf.edu wrote:

 Do clear your cache and try again on the site -- I would very  much like to 
 see the error report.

Philip Bays
Emeritus Professor of Chemistry
Saint Mary's College
Notre Dame, IN 46556
pb...@saintmarys.edu


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Re: [Jmol-users] progress ... ?

2013-12-03 Thread Philip Bays
 Boolean
 function () {
Clazz_instantialize (this, arguments);
}

 Boolean.FALSE
 Object
valueOf: function () {return b;}
__proto__: Object

 Boolean.TRUE
 Object
valueOf: function () {return b;}
__proto__: Object

On Dec 3, 2013, at 10:00 AM, Robert Hanson hans...@stolaf.edu wrote:

 Now we are getting somewhere! 
 
 In the developer console, enter
 
 Boolean
 
 and then
 
 Boolean.TRUE
 
 and then
 
 Boolean.FALSE
 
 
 and tell me what you  see.
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Notre Dame, IN 46556
pb...@saintmarys.edu



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Re: [Jmol-users] Safari test -- fixes Boolean issue?

2013-12-03 Thread Philip Bays
Bob:

You had a mighty profitable 1.5 hours between 11:30 and 1:00 today to have 
accomplished the “unsolvable”!!  Looks really good — both hosted and local.  
The community owes you a huge round of thanks — though I know there are always 
bugs to fix.

Phil

On Dec 3, 2013, at 1:11 PM, Robert Hanson hans...@stolaf.edu wrote:

 http://chemapps.stolaf.edu/jmol/zip/jmol-13.3.9_2013.12.03a.zip
 
 -- 
 Robert M. Hanson
 Larson-Anderson Professor of Chemistry
 St. Olaf College
 Northfield, MN
 http://www.stolaf.edu/people/hansonr
 
 
 If nature does not answer first what we want,
 it is better to take what answer we get. 
 
 -- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900
 
 --
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 organizations don't have a clear picture of how application performance 
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Saint Mary's College
Notre Dame, IN 46556
pb...@saintmarys.edu


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Re: [Jmol-users] JSmol for testing....

2013-12-02 Thread Philip Bays
Bob:
I privately sent you some error messages earlier this morning.   Did you get 
the email?

I have a Safari 7.0 update

As I reported in that prior message, jsmol.htm does not load the applet from 
your site.  I have put a copy of the jsmol directory on my campus server.  The 
applet in jsmol.htm does not load from there either. 

HOWEVER, test2.htm works from both your and my servers, in all three modes — 
HTML5, Signed, and unsigned — and that is without the error console.  The HTML5 
version stalls a little on loading at the Elements.js point, particularly the 
first time, but goes ahead and loads.  I have not fully tested the other links. 
 However, both Firefox and Chrome will not load the surface for the caffeine 
MMFF link though they do load the initial structure. Safari not only will not 
load the surface, but then freezes the page altogether. 

Hope this helps.

Phil
 
On Dec 1, 2013, at 9:42 PM, Robert Hanson hans...@stolaf.edu wrote:

 Thanks, Phil. I left /jsmol out of a bunch of those links; the download 
 link is right. (Isn't it nice to have trusted-signed applets? Perhaps we will 
 soon forget the days of all those warning messages.) By the way, at least for 
 me, Chrome and MSIE are working for non-binary file formats on local drives 
 with file:// protocol. 
 
 http access tests :
 
 http://chemapps.stolaf.edu/jmol/jsmol/jsmol.htm
 http://chemapps.stolaf.edu/jmol/jsmol/jsmol.htm?_USE=SIGNED
 http://chemapps.stolaf.edu/jmol/jsmol/jsmol.htm?_USE=JAVA
 
 loading caffeine
 loading 1hxw
 loading Pymol session
 loading =blu
 
 saving PNG image
 
 --
 http://chemapps.stolaf.edu/jmol/jsmol/jsmetest.htm
 http://chemapps.stolaf.edu/jmol/jsmol/jsmetest2.htm
 http://chemapps.stolaf.edu/jmol/jsmol/jsmetest2.htm?_USE=SIGNED
 
 searching for a compound name, CAS number, SMILES, InChI, etc.
 going back and forth 2D/3D
 
 
 --
 http://chemapps.stolaf.edu/jmol/jsmol/jsv.htm
 
 spectrum loads
 
 http://chemapps.stolaf.edu/jmol/jsmol/testjsv_mol.htm
 
 molecule interactive with spectra.
 
 
 -- 
 Robert M. Hanson
 Larson-Anderson Professor of Chemistry
 St. Olaf College
 Northfield, MN
 http://www.stolaf.edu/people/hansonr
 
 
 If nature does not answer first what we want,
 it is better to take what answer we get. 
 
 -- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900
 
 --
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Notre Dame, IN 46556
pb...@saintmarys.edu


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[Jmol-users] Local testing

2013-12-02 Thread Philip Bays
Following are the results of launching pages locally:

Safari
jsmol.htm — HTML5 applet does not load
test2.htm — HTML5 applet loads, but neither java applet loads. giving 
the following error alert
java.lang.reflect.InvocationTargetException

Firefox
jsmol.htm — HTML5 applet does not load
test2.htm — HTML5 applet loads rapidly; I sometimes get an alert that 
jquery  is busy, 
  but the continue button continues the load
 Signed applet loads fine
 Unsigned applet throws AccessControl Exception

Chrome
jsmol.htm — HTML5 applet does not load
test2.htm — HTML5 applet does not load; stalls at: loading... 
j2s/J/awtjs2d/Platform.js

I note that for server loading of the WebGL version, Safari seems to require 
that you turn WebGL on in the developer menu.

Philip Bays
Emeritus Professor of Chemistry
Saint Mary's College
Notre Dame, IN 46556
pb...@saintmarys.edu



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Re: [Jmol-users] Local testing

2013-12-02 Thread Philip Bays
I agree.

On Dec 2, 2013, at 4:17 PM, Miller, Benjamin mill...@janelia.hhmi.org wrote:

 For safari (jsmol.htm), can you check the browser console for error?  I
 was seeing a null pointer exception.  Once the console ws open, doing a
 refresh allowed jsmol to load.
 
 
 
 On 12/2/13, 4:10 PM, Philip Bays pb...@saintmarys.edu wrote:
 
 Following are the results of launching pages locally:
 
 Safari
  jsmol.htm ‹ HTML5 applet does not load
  test2.htm ‹ HTML5 applet loads, but neither java applet loads. giving
 the following error alert
  java.lang.reflect.InvocationTargetException
 
 Firefox
  jsmol.htm ‹ HTML5 applet does not load
  test2.htm ‹ HTML5 applet loads rapidly; I sometimes get an alert that
 jquery  is busy, 
 but the continue button continues
 the load
   Signed applet loads fine
   Unsigned applet throws AccessControl Exception
  
 Chrome
  jsmol.htm ‹ HTML5 applet does not load
  test2.htm ‹ HTML5 applet does not load; stalls at: loading...
 j2s/J/awtjs2d/Platform.js
 
 I note that for server loading of the WebGL version, Safari seems to
 require that you turn WebGL on in the developer menu.
 
 Philip Bays
 Emeritus Professor of Chemistry
 Saint Mary's College
 Notre Dame, IN 46556
 pb...@saintmarys.edu
 
 
 
 --
 
 Rapidly troubleshoot problems before they affect your business. Most IT
 organizations don't have a clear picture of how application performance
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 your 
 Java,.NET,  PHP application. Start your 15-day FREE TRIAL of AppDynamics
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 k
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Re: [Jmol-users] JSmol for testing....

2013-12-01 Thread Philip Bays
Bob:
I think that your links here are not correct.  And is the download link right??

Sent from my iPad

 On Dec 1, 2013, at 9:05 PM, Robert Hanson hans...@stolaf.edu wrote:
 
 again!  http://chemapps.stolaf.edu/jmol/zip/jmol-13.3.9_2013.12.01.zip
 
 http access tests : 
 
 http://chemapps.stolaf.edu/jmol/jsmol.htm
 http://chemapps.stolaf.edu/jmol/jsmol.htm?_USE=SIGNED
 http://chemapps.stolaf.edu/jmol/jsmol.htm?_USE=JAVA
 
 loading caffeine
 loading 1hxw
 loading Pymol session
 loading =blu
 
 saving PNG image
 
 --
 http://chemapps.stolaf.edu/jmol/jsmol/jsmetest.htm 
 http://chemapps.stolaf.edu/jmol/jsmol/jsmetest2.htm
 http://chemapps.stolaf.edu/jmol/jsmol/jsmetest2.htm?_USE=SIGNED
 
 searching for a compound name, CAS number, SMILES, InChI, etc.
 going back and forth 2D/3D
 
 
 --
 http://chemapps.stolaf.edu/jmol/jsv.htm
 
 spectrum loads
 
 http://chemapps.stolaf.edu/jmol/testjsv_mol.htm
 
 molecule interactive with spectra.
 
 -- 
 Robert M. Hanson
 Larson-Anderson Professor of Chemistry
 St. Olaf College
 Northfield, MN
 http://www.stolaf.edu/people/hansonr
 
 
 If nature does not answer first what we want,
 it is better to take what answer we get. 
 
 -- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900
 
 --
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Re: [Jmol-users] local testing ready iteration 1,203,304,440

2013-11-28 Thread Philip Bays
Happy Thanksgiving!!

Mac OSX 9 (Mavericks), Safari 7.0

Firefox works both locally and from Bob’s site using the three links below.  
The only issue is that test2 running locally gives an access control exception 
with the unsigned applet.

Safari 7.0 is the issue with the HTML5 code.  The hosted the applet will not 
load unless the error console is on.  I posted the error thrown last night.  
Locally, test.htm and test2.htm load fine. jsmol.htm will not load hosted 
without the error console

This morning I have looked at three files: simplej.htm, simpleOpt.htm, and 
supersimple.htm.  All three purport to do the same thing.   I have not looked 
at the code to see what is different.

simplej.htm is fine both locally and hosted without the error console, albeit 
slowly. 

The other two, both locally and hosted, require the error console to be open to 
load the applet.  If the console is closed, the code thrown is the same as I 
posted last evening.





As I indicated last evening
On Nov 27, 2013, at 7:53 PM, Robert Hanson hans...@stolaf.edu wrote:

 
 
 
 http://chemapps.stolaf.edu/jmol/jsmol/jmol-13.3.9_2013.11.27d.zip
 
 for hosted site checking:
 
 http://chemapps.stolaf.edu/jmol/jsmol/jsmol.htm
 http://chemapps.stolaf.edu/jmol/jsmol/jsmol.htm?_USE=JAVA
 http://chemapps.stolaf.edu/jmol/jsmol/jsmol.htm?_USE=SIGNED
 
 I await your word
 
 Bob
 
 
 
 
 

Philip Bays
Emeritus Professor of Chemistry
Saint Mary's College
Notre Dame, IN 46556
pb...@saintmarys.edu


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Re: [Jmol-users] Firefox/Mac loads Signed local Jmol but not Unsigned

2013-11-27 Thread Philip Bays
Addendum:
The local test was run using the new version posted last night.  I have found 
that locally 25c seems to behave best and that seems to be what is also on 
Bob’s site.


On Nov 27, 2013, at 1:05 AM, Robert Hanson hans...@stolaf.edu wrote:

 OK. Tomorrow is Mac-testing day for me. Tell me your woes
 
 Please do try the latest, at
 
   http://chemapps.stolaf.edu/jmol/zip/jmol-13.3.9_2013.11.26b.zip
 
 and 
 
 http://chemapps.stolaf.edu/jmol/jsmol/jsmol.htm?_USE=HTML5
 http://chemapps.stolaf.edu/jmol/jsmol/jsmol.htm?_USE=JAVA
 http://chemapps.stolaf.edu/jmol/jsmol/jsmol.htm?_USE=SIGNED
 
 By the way, those _USE attributes are standard now for any JSmol page. Also:
 
 _JAR=http://. (some other java location)
 _J2S=http://. (some other j2s location)
 
 These should really help with remote debugging of different sites.
 
 If you haven't tried
 
   http://chemapps.stolaf.edu/jmol/jsmol/jsmetest.htm  
   http://chemapps.stolaf.edu/jmol/jsmol/jsmetest2.htm
 
   http://chemapps.stolaf.edu/jmol/jsmol/jsv.htm
   http://chemapps.stolaf.edu/jmol/jsmol/jsv.htm?USE=SIGNED
   http://chemapps.stolaf.edu/jmol/jsmol/testjsv_mol.htm
   http://chemapps.stolaf.edu/jmol/jsmol/testjsv_mol.htm?_USE=SIGNED
 
 be sure to try those. The last four demonstrate Robert Lancashire's and my 
 work this past couple of months getting JSpecView up and running in 
 JavaScript and in association with Jmol.
 
 
 
 
 
 -- 
 Robert M. Hanson
 Larson-Anderson Professor of Chemistry
 St. Olaf College
 Northfield, MN
 http://www.stolaf.edu/people/hansonr
 
 
 If nature does not answer first what we want,
 it is better to take what answer we get. 
 
 -- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900
 
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Saint Mary's College
Notre Dame, IN 46556
pb...@saintmarys.edu


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Re: [Jmol-users] Firefox/Mac loads Signed local Jmol but not Unsigned

2013-11-27 Thread Philip Bays
Final note on the jsme and jsv links:

Safari
JME test  neither applet loads
JME Test2  JME loads, jmol does not
JSV Spectrum loads, jmol does not
JSV signed jmol does not load
jv_mol  nothing loads
jv_mol signed   works

 Firefox
jsmetestworks
jsmetest2  works
jsv   spectrum loads, jmol does not
jsv signed  spectrum loads, jmol does not
testjsv_mol   works
testjsv_mol signed works



On Nov 27, 2013, at 1:05 AM, Robert Hanson hans...@stolaf.edu wrote:

 OK. Tomorrow is Mac-testing day for me. Tell me your woes
 
 Please do try the latest, at
 
   http://chemapps.stolaf.edu/jmol/zip/jmol-13.3.9_2013.11.26b.zip
 
 and 
 
 http://chemapps.stolaf.edu/jmol/jsmol/jsmol.htm?_USE=HTML5
 http://chemapps.stolaf.edu/jmol/jsmol/jsmol.htm?_USE=JAVA
 http://chemapps.stolaf.edu/jmol/jsmol/jsmol.htm?_USE=SIGNED
 
 By the way, those _USE attributes are standard now for any JSmol page. Also:
 
 _JAR=http://. (some other java location)
 _J2S=http://. (some other j2s location)
 
 These should really help with remote debugging of different sites.
 
 If you haven't tried
 
   http://chemapps.stolaf.edu/jmol/jsmol/jsmetest.htm  
   http://chemapps.stolaf.edu/jmol/jsmol/jsmetest2.htm
 
   http://chemapps.stolaf.edu/jmol/jsmol/jsv.h`tm
   http://chemapps.stolaf.edu/jmol/jsmol/jsv.htm?USE=SIGNED
   http://chemapps.stolaf.edu/jmol/jsmol/testjsv_mol.htm
   http://chemapps.stolaf.edu/jmol/jsmol/testjsv_mol.htm?_USE=SIGNED
 
 be sure to try those. The last four demonstrate Robert Lancashire's and my 
 work this past couple of months getting JSpecView up and running in 
 JavaScript and in association with Jmol.
 
 
 
 
 
 -- 
 Robert M. Hanson
 Larson-Anderson Professor of Chemistry
 St. Olaf College
 Northfield, MN
 http://www.stolaf.edu/people/hansonr
 
 
 If nature does not answer first what we want,
 it is better to take what answer we get. 
 
 -- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900
 
 --
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Philip Bays
Emeritus Professor of Chemistry
Saint Mary's College
Notre Dame, IN 46556
pb...@saintmarys.edu


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Re: [Jmol-users] JSmol Problems

2013-11-27 Thread Philip Bays
Bob:
The bondset issue is still there when running locally from the ….27 directory.  



On Nov 27, 2013, at 4:44 PM, Robert Hanson hans...@stolaf.edu wrote:

 http://chemapps.stolaf.edu/jmol/zip/jmol-13.3.9_2013.11.27.zip
 
 fixes the bondset problem. 
 
 How do I get to your site to test this?
 
 
 
 
 On Wed, Nov 27, 2013 at 2:16 PM, Otis Rothenberger osrot...@chemagic.com 
 wrote:
 I apologize in advance for starting a new thread here, but I'm getting really 
 confused on issues. My focus here is this note from Bob this morning.
 
 From Bob...
 OK. Tomorrow is Mac-testing day for me. Tell me your woes
 
 Please do try the latest, at
 
   http://chemapps.stolaf.edu/jmol/zip/jmol-13.3.9_2013.11.26b.zip
 
 End from Bob
 
 With Mac Chrome, our model kit loads, but there is considerable whining 
 during the load about waiting for the ISU server. Once loaded, most script 
 links seem dead. I cannot even bring up the console or check the Jmol 
 right-click menu.
 
 With Safari, the model does not load. I get the same error that Phil is 
 getting about a missing BondSet.js file
 
 Otis
 
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 -- 
 Robert M. Hanson
 Larson-Anderson Professor of Chemistry
 St. Olaf College
 Northfield, MN
 http://www.stolaf.edu/people/hansonr
 
 
 If nature does not answer first what we want,
 it is better to take what answer we get. 
 
 -- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900
 
 --
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 organizations don't have a clear picture of how application performance 
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Philip Bays
Emeritus Professor of Chemistry
Saint Mary's College
Notre Dame, IN 46556
pb...@saintmarys.edu


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Re: [Jmol-users] local testing ready iteration 1,203,304,440

2013-11-27 Thread Philip Bays
I have just had time to see if the applets load from your site.  Java and 
signed load fine.  HTML5 only loads if the error console is open.  Error 
comments are as follows:

[Error] java.lang.NullPointerException
(anonymous function) (core.z.js, line 398)
(anonymous function) (core.z.js, line 2236)
(anonymous function) (core.z.js, line 2228)
(anonymous function) (core.z.js, line 2205)
instantialize (JSmol.min.js, line 344)
(anonymous function) (core.z.js, line 2204)
(anonymous function) (core.z.js, line 2253)
(anonymous function) (core.z.js, line 937)
(anonymous function) (core.z.js, line 926)
(anonymous function) (core.z.js, line 917)
instantialize (JSmol.min.js, line 344)
(anonymous function) (core.z.js, line 913)
(anonymous function) (core.z.js, line 506)
(anonymous function) (core.z.js, line 505)
(anonymous function) (core.z.js, line 503)
instantialize (JSmol.min.js, line 344)
(anonymous function) (core.z.js, line 503)
__startAppletJS (JSmol.min.js, line 258)
__nextExecution (JSmol.min.js, line 263)


On Nov 27, 2013, at 7:53 PM, Robert Hanson hans...@stolaf.edu wrote:

 OK --- that's ready. 
 
 tests:
 
 for local downloading: 
 
 http://chemapps.stolaf.edu/jmol/jsmol/jmol-13.3.9_2013.11.27d.zip
 
 for hosted site checking:
 
 http://chemapps.stolaf.edu/jmol/jsmol/jsmol.htm
 http://chemapps.stolaf.edu/jmol/jsmol/jsmol.htm?_USE=JAVA
 http://chemapps.stolaf.edu/jmol/jsmol/jsmol.htm?_USE=SIGNED
 
 I await your word
 
 Bob
 
 
 
 

Philip Bays
Emeritus Professor of Chemistry
Saint Mary's College
Notre Dame, IN 46556
pb...@saintmarys.edu


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[Jmol-users] Safari errors

2013-11-26 Thread Philip Bays
I am looking at your web site the test2.  Works fine in firefox.   In safari 
both jsmol and jmol initially load fine.   However, with the jsmol, after 
clicking number of links in the database column, the browser hangs and the page 
has to be reloaded.  In addition, I get the following error alert popping up 
with a protein structure: 

Javascript
JmolCore.js synchronus binary file transfer is requested but not available.

Clicking OK on this alert allows that structure and a few others to load, but 
then it again freezes.


Philip Bays
Emeritus Professor of Chemistry
Saint Mary's College
Notre Dame, IN 46556
pb...@saintmarys.edu



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[Jmol-users] Addendum

2013-11-26 Thread Philip Bays
I do not have the aforementioned issue running from my desktop using ….25c.


Philip Bays
Emeritus Professor of Chemistry
Saint Mary's College
Notre Dame, IN 46556
pb...@saintmarys.edu



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Re: [Jmol-users] Firefox/Mac loads Signed local Jmol but not Unsigned

2013-11-26 Thread Philip Bays
I agree with Nick on this for the most part.   However, for me Firefox hangs 
after several loads from the database column; the culprit seems to be caffeine 
with MMFF force field.  


On Nov 26, 2013, at 5:48 PM, Greeves, Nick ngree...@liverpool.ac.uk wrote:

 With this version and test2.htm Firefox loads the signed Jmol just fine but 
 Unsigned gives an AccessControlException error. Is this expected?

Philip Bays
Emeritus Professor of Chemistry
Saint Mary's College
Notre Dame, IN 46556
pb...@saintmarys.edu


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Re: [Jmol-users] Please test (2)

2013-11-25 Thread Philip Bays
Oh, yes.   I see them scroll by as the applet is loading and can see them using 
the SHOW link.  So we will just attribute this to a Safari flaw — like a lot of 
others in this version!!


On Nov 24, 2013, at 5:29 PM, Robert Hanson hans...@stolaf.edu wrote:

 There should be a whole flood of messages in Jmol's Java console. (Behind 
 the applet and visible with the Info SHOW link under the applet.) No?

Philip Bays
Emeritus Professor of Chemistry
Saint Mary's College
Notre Dame, IN 46556
pb...@saintmarys.edu


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