Re: [Jmol-users] jmol-chemdoodle b-factor color

2012-06-04 Thread Kevin Theisen
Hi Osvaldo, Currently, we have several coloring schemes for proteins in the ChemDoodle Web Components, but b-factor values are not supported. We are working to have this added as well as other coloring schemes. Feel free to let us know which features you would like added, we will try to get to

Re: [Jmol-users] jmol-chemdoodle b-factor color

2012-06-04 Thread Robert Hanson
This is a question for iChemLabs -- Kevin? wrote: > Hi, > > I would like to make this web-page > http://cheshift.com/example/example.html available to people with mobile > devices or that do not have java installed. The protein is coloured > according to some values stored in the b-factor column

[Jmol-users] jmol-chemdoodle b-factor color

2012-06-03 Thread Osvaldo Martin
Hi, I would like to make this web-page http://cheshift.com/example/example.htmlavailable to people with mobile devices or that do not have java installed. The protein is coloured according to some values stored in the b-factor column. I have download the new unstable version of Jmol, that integrat

Re: [Jmol-users] Jmol Chemdoodle integration and license options

2012-05-16 Thread Robert Hanson
Good question! No, not at all. On Tue, May 15, 2012 at 7:51 AM, Johannes Pernaa < johannes.per...@edumendo.fi> wrote: > Hi all. > > In the future: Does this Chemdoodle integration change the Jmol software > license from LPGL to GPL? > > Jmol is completely separate from ChemDoodle. We don't access

Re: [Jmol-users] Jmol/ChemDoodle advances, summary

2012-05-16 Thread Robert Hanson
any more information than that? Not much to go on. On Tue, May 15, 2012 at 9:16 AM, John Francis Lee wrote: > On 05/15/2012 07:09 PM, Robert Hanson wrote: > > A page that demonstrates this is > > That page hung my browser ... firefox 12.0 ubuntu 11.10 > > -- > "This message may have been interce

Re: [Jmol-users] Jmol/ChemDoodle advances, summary

2012-05-15 Thread John Francis Lee
On 05/15/2012 07:09 PM, Robert Hanson wrote: > A page that demonstrates this is That page hung my browser ... firefox 12.0 ubuntu 11.10 -- "This message may have been intercepted and read by U.S. government agencies including the FBI, CIA, and NSA and/or the present government of Thailand with

[Jmol-users] Jmol Chemdoodle integration and license options

2012-05-15 Thread Johannes Pernaa
Hi all. In the future: Does this Chemdoodle integration change the Jmol software license from LPGL to GPL? I am a bit worried about this GPL integration from the commercial point of view (http://web.chemdoodle.com/jmol-integrates-chemdoodle-web-components). iChemLabs does provide the possible

[Jmol-users] Jmol/ChemDoodle advances, summary

2012-05-15 Thread Robert Hanson
Thank you those of you who have been testing the Jmol/ChemDoodle mash-up. So, just to summarize: With (Objective? Modular? What are we going to call this? Jmol 13.0?) Jmol you can create an applet and start sending it whatever script commands you want immediately. You can create as many applets o

Re: [Jmol-users] Jmol/ChemDoodle -- test2

2012-04-24 Thread Jeff Hansen
Not seeing that behavior on my Mac. *** Jeff Hansen Department of Chemistry and Biochemistry DePauw University 602 S. College Ave. Greencastle, IN 46135 jhan...@depauw.edu *** On Apr 24, 2012, at 12:02 PM, P

Re: [Jmol-users] Jmol/ChemDoodle -- test2

2012-04-24 Thread Robert Hanson
say again?? On Tue, Apr 24, 2012 at 11:02 AM, Philip Bays wrote: > Again on a macbook pro. All works except y1237 when using not chemdoodle > (no webgl). The right third of the image is green. > > > On Apr 24, 2012, at 10:49 AM, Robert Hanson wrote: > > the :smiles:C/C=C/C business was indeed

Re: [Jmol-users] Jmol/ChemDoodle -- test2

2012-04-24 Thread Philip Bays
Again on a macbook pro. All works except y1237 when using not chemdoodle (no webgl). The right third of the image is green. On Apr 24, 2012, at 10:49 AM, Robert Hanson wrote: > the :smiles:C/C=C/C business was indeed my forgetting to upload the latest > JAR files. > > http://chemapps.sto

Re: [Jmol-users] Jmol/ChemDoodle -- test2

2012-04-24 Thread Otis Rothenberger
Bob, This works now on my Mac Firefox. Otis -- Otis Rothenberger o...@chemagic.com http://chemagic.com On Apr 24, 2012, at 10:49 AM, Robert Hanson wrote: > the :smiles:C/C=C/C business was indeed my forgetting to upload the latest > JAR files. > > http://chemapps.stolaf.edu/jmol/chemdood

Re: [Jmol-users] Jmol/ChemDoodle -- test2

2012-04-24 Thread Robert Hanson
Right -- obviously there will be some differences, and your comments relative to these are helpful. Good to see that your Mac, Jeff, is showing the WebGL version of ChemDoodle. Give us all the feedback you can about that experience. There are two sorts of CIF examples -- some from RCSB and some fr

Re: [Jmol-users] Jmol/ChemDoodle -- test2

2012-04-24 Thread Robert Hanson
the :smiles:C/C=C/C business was indeed my forgetting to upload the latest JAR files. http://chemapps.stolaf.edu/jmol/chemdoodle/test2.htm?SIGNED should work now, provided your browser uses the proper file, with timestamp 2012-04-24 07:22 in the "about" menu. Bob On Tue, Apr 24, 2012 at 8:56 A

Re: [Jmol-users] Jmol/ChemDoodle -- test2

2012-04-24 Thread Jeff Hansen
On Apr 24, 2012, at 9:31 AM, Kevin Theisen wrote: > Hi Jeff, > >> 1blu takes a long time to load and when it finally loads does not show a >> cartoon. > > The majority of the delay is probably in the download. Cartoons are for WebGL > canvases only, so not in the 2D components which some mo

Re: [Jmol-users] Jmol/ChemDoodle -- test2

2012-04-24 Thread Jeff Hansen
No problem on my MacBook Pro with Safari. Tried both with Jmol unsigned and ChemDoodle. Also fine with FireFox. *** Jeff Hansen Department of Chemistry and Biochemistry DePauw University 602 S. College Ave. Greencastle, IN 46135 jhan...@depauw.edu **

Re: [Jmol-users] Jmol/ChemDoodle -- test2

2012-04-24 Thread Robert Hanson
another problem I'm having here is that on some browsers when you make a selection from a keyword search, where the applet has been "minimized" (to a 1x1 pixel frame) it won't rejuvinate itself. That's going to be a tough one to track down. Is everyone having that problem? (It's the set of links a

Re: [Jmol-users] Jmol/ChemDoodle -- test2

2012-04-24 Thread Robert Hanson
I probably forgot to update the signed applet after making that work. I can reproduce that one here on my Mac. OK. Thanks. On Tue, Apr 24, 2012 at 8:56 AM, Otis Rothenberger wrote: > Bob, > > I just cleared cache on Firefox Mac, and now the only "direct database > calls - no server" error I still

Re: [Jmol-users] Jmol/ChemDoodle -- test2

2012-04-24 Thread Otis Rothenberger
Bob, I just cleared cache on Firefox Mac, and now the only "direct database calls - no server" error I still see is: load :smiles:CC/C=C/CC (PubChem SMILES) Otis -- Otis Rothenberger o...@chemagic.com http://chemagic.com On Apr 24, 2012, at 9:44 AM, Robert Hanson wrote: > Phil, could thi

Re: [Jmol-users] Jmol/ChemDoodle -- test2

2012-04-24 Thread Robert Hanson
On Tue, Apr 24, 2012 at 8:44 AM, Otis Rothenberger wrote: > I'm seeing pretty much the same thing on Mac Firefox that Phil reports. I > also see what Jeff sees on his iPod Touch on my iPad 2. Notably: > > load :smiles:CC/C=C/CC (PubChem SMILES) > > chokes on my Mac Firefox per Phil's note, but loa

Re: [Jmol-users] Jmol/ChemDoodle -- test2

2012-04-24 Thread Robert Hanson
Phil, could this be a local caching problem? I'm not seeing any problem with a vanilla Mac running Safari. All the .js files have been changed recently, and there are also new .jar files as well specifically for those actions. Other Mac users? http://chemapps.stolaf.edu/jmol/chemdoodle/test2.htm

Re: [Jmol-users] Jmol/ChemDoodle -- test2

2012-04-24 Thread Otis Rothenberger
I'm seeing pretty much the same thing on Mac Firefox that Phil reports. I also see what Jeff sees on his iPod Touch on my iPad 2. Notably: load :smiles:CC/C=C/CC (PubChem SMILES) chokes on my Mac Firefox per Phil's note, but loads on the iPad, albeit with some delay. Bob, out of curiosity, how

Re: [Jmol-users] Jmol/ChemDoodle -- test2

2012-04-24 Thread Robert Hanson
Thanks, Phil. I may have forgotten to check that. On Tue, Apr 24, 2012 at 6:21 AM, Philip Bays wrote: > Bob: > On my Mac, I am getting some java i/o errors using the signed applet and > the direct database calls; eg caffeine with map, 2-hexene smiles, aspirin. > > > On Apr 24, 2012, at 12:51 AM,

Re: [Jmol-users] Jmol/ChemDoodle -- test2

2012-04-24 Thread Kevin Theisen
Hi Jeff, > 1blu takes a long time to load and when it finally loads does not show a > cartoon. The majority of the delay is probably in the download. Cartoons are for WebGL canvases only, so not in the 2D components which some mobile devices will default to. > It shows just the bonds. :caff

Re: [Jmol-users] Jmol/ChemDoodle -- test2

2012-04-24 Thread Jeff Hansen
On my iPod Touch, all load a molecule which I can then rotate. 1blu takes a long time to load and when it finally loads does not show a cartoon. It shows just the bonds. :caffeine (PubChem, with map) loads but does not show a surface. If the .cif examples are supposed to show anything other

Re: [Jmol-users] Jmol/ChemDoodle -- test2

2012-04-24 Thread Philip Bays
Bob: On my Mac, I am getting some java i/o errors using the signed applet and the direct database calls; eg caffeine with map, 2-hexene smiles, aspirin. On Apr 24, 2012, at 12:51 AM, Robert Hanson wrote: > Dear Jmol users, > > http://chemapps.stolaf.edu/jmol/chemdoodle/test2.htm > > Needs tes

Re: [Jmol-users] Jmol/ChemDoodle -- test2

2012-04-23 Thread Robert Hanson
Dear Jmol users, http://chemapps.stolaf.edu/jmol/chemdoodle/test2.htm Needs testing on iPads, iPhones, and Android tablet. I have all file types loading now, I think, including direct tapping into PubChem, NCI Resolver, and RCSB models and ligands all in Jmol and a slightly adapted subset of Che

Re: [Jmol-users] Jmol/ChemDoodle -- test2

2012-04-21 Thread Kevin Theisen
Hi Bob, It appears FF4 is mmCIF, which we do not support (at least not yet). I will have to do some more study of the CIF format to make sure I understand why there are so many variations, but currently, if your file matches the core CIF spec, then it will load without issue: http://it.iucr.org

Re: [Jmol-users] Jmol/ChemDoodle -- test2

2012-04-21 Thread Philip Bays
Mostly fixed:-( The "image only" and "load :tylenol" links do not work. On Apr 21, 2012, at 12:29 AM, Robert Hanson wrote: > that's fixed. > > Looks like Kevin needs to take another look at reading CIF files, though. > > At http://chemapps.stolaf.edu/jmol/chemdoodle/test2.htm?CD the "load =

Re: [Jmol-users] Jmol/ChemDoodle -- test2

2012-04-21 Thread Robert Hanson
Right, so did I. See http://www.w3.org/TR/cors/ The Access-Control-Allow-Origin header indicates whether a resource can be shared based by returning the value of the Origin request header in the response. ABNF: Access-Control-Allow-Origin = "Access-Control-Allow-Origin" ":" origin-list-or-null |

Re: [Jmol-users] Jmol/ChemDoodle -- test2

2012-04-20 Thread Paul Pillot
How does this work technically (JSONP ? other ?) ? I thought it was not possible to make ajax calls to other domains without triggering a security message (to prevent cross site scripting) ? It's very exciting to see this working so well without the signed applet ! Paul Le 21 avr. 2012 à 01:56,

Re: [Jmol-users] Jmol/ChemDoodle -- test2

2012-04-20 Thread Robert Hanson
that's fixed. Looks like Kevin needs to take another look at reading CIF files, though. At http://chemapps.stolaf.edu/jmol/chemdoodle/test2.htm?CD the "load ==HEM" link on the right does not work. This is a file of the type http://www.rcsb.org/pdb/files/ligand/FS4.cif Bob On Fri, Apr 20, 201

Re: [Jmol-users] Jmol/ChemDoodle -- test2

2012-04-20 Thread Robert Hanson
Oh, yeah. Not on my PC either - must be something simple On Fri, Apr 20, 2012 at 10:08 PM, Robert Hanson wrote: > ohoh!!! I'll look at that. > > > On Fri, Apr 20, 2012 at 8:19 PM, Philip Bays wrote: > >> Bob: >> >> For me chemdoodle does not work on either my mac or on my iPod Touch. >> >>

Re: [Jmol-users] Jmol/ChemDoodle -- test2

2012-04-20 Thread Robert Hanson
ohoh!!! I'll look at that. On Fri, Apr 20, 2012 at 8:19 PM, Philip Bays wrote: > Bob: > > For me chemdoodle does not work on either my mac or on my iPod Touch. > > > On Apr 20, 2012, at 7:56 PM, Robert Hanson wrote: > > yes indeedy, both NCI and PDB allow direct access via AJAX to their > datab

Re: [Jmol-users] Jmol/ChemDoodle -- test2

2012-04-20 Thread Philip Bays
Bob: For me chemdoodle does not work on either my mac or on my iPod Touch. On Apr 20, 2012, at 7:56 PM, Robert Hanson wrote: > yes indeedy, both NCI and PDB allow direct access via AJAX to their > databases. Thank you, guys! > > http://chemapps.stolaf.edu/jmol/chemdoodle/test2.htm > > Thus,

Re: [Jmol-users] Jmol/ChemDoodle -- test2

2012-04-20 Thread Robert Hanson
yes indeedy, both NCI and PDB allow direct access via AJAX to their databases. Thank you, guys! http://chemapps.stolaf.edu/jmol/chemdoodle/test2.htm Thus, with Jmol/ChemDoodle there is no need to go to the server except for an image. On Thu, Apr 19, 2012 at 9:31 AM, Otis Rothenberger wrote: >

Re: [Jmol-users] Jmol/ChemDoodle -- test2

2012-04-19 Thread Bob Hanson
So markus says. Haven't tried that yet. Sent from my stupid iphone On Apr 19, 2012, at 12:58 PM, Otis Rothenberger wrote: > Bob, > > I'm not sure because I didn't know you could do that! Do you mean I don't > have to use a server readURL script on my server to query Resolver. I can > simp

Re: [Jmol-users] Jmol/ChemDoodle -- test2

2012-04-19 Thread Otis Rothenberger
Bob, I'm not sure because I didn't know you could do that! Do you mean I don't have to use a server readURL script on my server to query Resolver. I can simply query Resolver directly via an AJAX script? Otis -- Otis Rothenberger o...@chemagic.com http://chemagic.com On Apr 19, 2012, at

Re: [Jmol-users] Jmol/ChemDoodle -- test2

2012-04-19 Thread Bob Hanson
Otis is PubChem now available via ajax directly, like for NCI? That is, no server relay and so no problem with being locked out? As soon as I get a chance -- traveling all day today -- I will add direct NCI access in JmolCD.js. I've sent a request for that to RCSB. If we had all three it would

Re: [Jmol-users] Jmol/ChemDoodle -- test2

2012-04-19 Thread Otis Rothenberger
Very nice. I'm a believer. I need to look at the code to see how to fit this into our Web application. I should remind users that now that PubChem files can be loaded, MEP surfaces can also be displayed. It's true that the PubChem SDF's use an abbreviated approach to partial charges, still the

Re: [Jmol-users] Jmol/ChemDoodle -- test2

2012-04-19 Thread Robert Hanson
More goodies at http://chemapps.stolaf.edu/jmol/chemdoodle/test2.htm -- pubChem search -- keyword lookup at RCSB -- general way to swap the applet for a block of HTML information if desired Bob -- Robert M. Hanson Professor of Chemistry St. Olaf College 1520 St. Olaf Ave. Northfield, MN 55057

Re: [Jmol-users] Jmol/ChemDoodle -- test2

2012-04-17 Thread Robert Hanson
Paul, I expect we will merge. So please use the format I'm using as much as possible. Jmol.functionName() = function {} We want to dispense with _findApplet pretty much and assume that in most cases we have the applet object already. For example, JmolApplet() should work, but it should

Re: [Jmol-users] Jmol/ChemDoodle -- test2

2012-04-17 Thread Jaime Prilusky
I'm counting on that. Please let me know if you need any help. Jaim On Apr 17, 2012, at 4:50 PM, Nicolas Vervelle wrote: Hi, I haven't really followed this discussion. Can it be used for the MediaWiki extension ? Nico On Tue, Apr 17, 2012 at 3:33 PM, Paul Pillot mailto:paul.pil...@ac-orleans-

Re: [Jmol-users] Jmol/ChemDoodle -- test2

2012-04-17 Thread Nicolas Vervelle
Hi, I haven't really followed this discussion. Can it be used for the MediaWiki extension ? Nico On Tue, Apr 17, 2012 at 3:33 PM, Paul Pillot < paul.pil...@ac-orleans-tours.fr> wrote: > Bob, > I am still working on a rewrite of Jmol.js > It takes time, but my efforts are going in the same way a

Re: [Jmol-users] Jmol/ChemDoodle -- test2

2012-04-17 Thread Paul Pillot
Bob, I am still working on a rewrite of Jmol.js It takes time, but my efforts are going in the same way as the library you made. Hope I could make it available soon. Paul Le 17 avr. 2012 à 14:11, Robert Hanson a écrit : > > > 2012/4/17 Angel Herráez > > Specifically, http://chemapps.stolaf.ed

Re: [Jmol-users] Jmol/ChemDoodle -- test2

2012-04-17 Thread Robert Hanson
2012/4/17 Angel Herráez > > Specifically, http://chemapps.stolaf.edu/jmol/chemdoodle/JmolCD.js is > > a library of extensions to ChemDoodle. What it actually does is to > > create a high-level object called "Jmol" (conveniently!) that loads > > applets in a new way. I think it is our new "Jmol ob

Re: [Jmol-users] Jmol/ChemDoodle -- test2

2012-04-17 Thread Angel Herráez
> Specifically, http://chemapps.stolaf.edu/jmol/chemdoodle/JmolCD.js is > a library of extensions to ChemDoodle. What it actually does is to > create a high-level object called "Jmol" (conveniently!) that loads > applets in a new way. I think it is our new "Jmol object" JavaScript. > And I sugg

Re: [Jmol-users] Jmol/ChemDoodle -- test2

2012-04-16 Thread Robert Hanson
Kevin has fixed the problems with CIF files (mostly). Thank you, Kevin! I think this is a pretty good start to a solution to a very difficult problem. If you take a look at http://chemapps.stolaf.edu/jmol/chemdoodle and its contained files, you will see some interesting ones. Specifically, htt

Re: [Jmol-users] Jmol/ChemDoodle -- test2

2012-04-13 Thread Robert Hanson
Yes, there's something about that model and several others that the ChemDoodle CIF interpreter doesn't like. Kevin Theisen is looking into it. On Fri, Apr 13, 2012 at 11:17 AM, Jeff Hansen wrote: > That is correct Bob. Just press Enter in Safari and it loads the > molecule. I did have problems

Re: [Jmol-users] Jmol/ChemDoodle -- test2

2012-04-13 Thread Jeff Hansen
That is correct Bob. Just press Enter in Safari and it loads the molecule. I did have problems with the load sebi0105c.ccdc.cif link. It worked via Jmol but not ChemDoodle. Just gave a blank box. All on my MacBook Pro using Safari. Haven't tried any other configuration. *

Re: [Jmol-users] Jmol/ChemDoodle -- test2

2012-04-13 Thread Robert Hanson
Phil -- the OK prompt is just some debugging I left in so that Kevin could quickly see what sort of files we were dealing with that were causing problems in ChemDoodle. Nothing more than that. I think it's any time ChemDoodle is loading a model in its 2D mode. Can't you just press ENTER and have th

Re: [Jmol-users] Jmol/ChemDoodle -- test2

2012-04-13 Thread Robert Hanson
They are all there on that site, Kevin. Just remove "test2.htm" and you can see what's in that directory. On Fri, Apr 13, 2012 at 6:40 AM, Kevin Theisen wrote: > Hi Bob, > > Can you send me a zip of the files you are having trouble with, I will > check them out. I think it may have to do with ho

Re: [Jmol-users] Jmol/ChemDoodle -- test2

2012-04-13 Thread Kevin Theisen
Hi Bob, Can you send me a zip of the files you are having trouble with, I will check them out. I think it may have to do with how the line delimiters are handled. -Kevin On Apr 13, 2012, at 1:03 AM, Robert Hanson wrote: > OK. Please test! > > http://chemapps.stolaf.edu/jmol/chemdoodle/test2

Re: [Jmol-users] Jmol/ChemDoodle -- test2

2012-04-13 Thread Philip Bays
Bob: I like what you are doing here. I realize that I am looking at only test2, but I am playing like a student -- randomly clicking links:-) I am out of town and only have my MacBook pro with me. I note in Firefox that when you are in the chemdoodle mode and you try to load a file that chem

Re: [Jmol-users] Jmol/ChemDoodle -- test2

2012-04-13 Thread Angel Herráez
This is amazing, Bob Your keep us astonished once and again! One small comment: the "image only" link works, but having the Jmol frank in the image is a bit misleading; I just went and tried to rotate it :). Maybe not include the frank? Of course, having it is advertising, which may be good. O

Re: [Jmol-users] Jmol/ChemDoodle -- test2

2012-04-13 Thread Jaime Prilusky
This is really something!! It looks so smooth and simple :-) Well done!! On Apr 13, 2012, at 8:03 AM, Robert Hanson wrote: OK. Please test! http://chemapps.stolaf.edu/jmol/chemdoodle/test2.htm -- adds loading of host-local file using MolGrabberJmol.loadFile(fileName,loadParams) of course, t

Re: [Jmol-users] Jmol/ChemDoodle -- test2

2012-04-13 Thread Egon Willighagen
On Fri, Apr 13, 2012 at 7:03 AM, Robert Hanson wrote: > OK. Please test! > > http://chemapps.stolaf.edu/jmol/chemdoodle/test2.htm Very nice! Egon -- Dr E.L. Willighagen Postdoctoral Researcher Department of Bioinformatics - BiGCaT Maastricht University (http://www.bigcat.unimaas.nl/) Homepage

Re: [Jmol-users] Jmol/ChemDoodle -- test2

2012-04-12 Thread Robert Hanson
OK. Please test! http://chemapps.stolaf.edu/jmol/chemdoodle/test2.htm -- adds loading of host-local file using MolGrabberJmol.loadFile(fileName,loadParams) of course, the loadParams business doesn't work with ChemDoodle, but perhaps it will supply reason to add such :) I notice that this doe

Re: [Jmol-users] Jmol/ChemDoodle -- test1

2012-04-12 Thread Kevin Theisen
This looks great, I'm very excited. I'm glad we can begin pushing Jmol content through mobile browsers. And if anyone would like some free advertising, just send us your links using this and we will add it to the ChemDoodle Web Components project page. IE is one of those browsers that just does

Re: [Jmol-users] Jmol / ChemDoodle test results

2012-04-12 Thread Jennifer L. Muzyka
It works on my iPad! Amazes me - very cool! Jennifer Jennifer Muzyka Professor of Chemistry Centre College Danville, KY. 40422 jennifer.muz...@centre.edu http://web.centre.edu/muzyka > Message: 2 > Date: Thu, 12 Apr 2012 17:39:19 -0500 > From: Robert Hanson > Subject: Re: [Jmol

Re: [Jmol-users] Jmol/ChemDoodle -- test1

2012-04-12 Thread Robert Hanson
Right now the operation is limited strictly to loading a model from NCI. I'll be adding host-local file loading (as in standard Jmol applet) next. On Thu, Apr 12, 2012 at 5:56 PM, Otis Rothenberger wrote: > Bob, > > Re iPad: Wow. > > It's going to take me some time to figure this all out. Very ni

Re: [Jmol-users] Jmol/ChemDoodle -- test1

2012-04-12 Thread Otis Rothenberger
Bob, Re iPad: Wow. It's going to take me some time to figure this all out. Very nice. Otis -- Otis Rothenberger o...@chemagic.com http://chemagic.com On Apr 12, 2012, at 6:39 PM, Robert Hanson wrote: > Paul, first, check this out now: > > http://chemapps.stolaf.edu/jmol/chemdoodle/test2.

Re: [Jmol-users] Jmol/ChemDoodle -- test1

2012-04-12 Thread Robert Hanson
Paul, first, check this out now: http://chemapps.stolaf.edu/jmol/chemdoodle/test2.htm I'd say that was a productive day! This page is even more interesting. Pending Jmol user reports, it should pull up a twiddlable model on all platforms. It's working on my iPhone, my Windows laptop, and my MacB

Re: [Jmol-users] Jmol/ChemDoodle -- test1

2012-04-12 Thread Paul Pillot
How does this work ? It apparently makes a call to a php script hosted on stolaf's server. Does this php script itself calls jmoldata.jar server side ? And how does it replies ? by sending back a mol file or a chemdoodle JSON object ? -Paul ---

Re: [Jmol-users] Jmol/ChemDoodle -- test1

2012-04-12 Thread Kevin Theisen
Cool, for devices without Java or WebGL, you can default to the ChemDoodle TransformCanvas. Using visual specifications you can set up psuedo-3D graphics so that you can still have an interactive model in these cases. You will need to scale the coordinates from Angstroms to pixels (just multiply

Re: [Jmol-users] Jmol/ChemDoodle -- test1

2012-04-12 Thread Robert Hanson
now it's there. On Thu, Apr 12, 2012 at 8:45 AM, Robert Hanson wrote: > wait. Sorry. That upload did not work > > > On Thu, Apr 12, 2012 at 8:38 AM, Robert Hanson wrote: > >> OK, I'm catching on. >> >> http://chemapps.stolaf.edu/jmol/docs/examples-12/chemdoodle/test1.htm >> >> You'll need C

Re: [Jmol-users] Jmol/ChemDoodle -- test1

2012-04-12 Thread Robert Hanson
wait. Sorry. That upload did not work On Thu, Apr 12, 2012 at 8:38 AM, Robert Hanson wrote: > OK, I'm catching on. > > http://chemapps.stolaf.edu/jmol/docs/examples-12/chemdoodle/test1.htm > > You'll need Chrome for that, or maybe an iPad. > > iPhone/Java support later today, I expect. > > B

[Jmol-users] Jmol/ChemDoodle -- test1

2012-04-12 Thread Robert Hanson
OK, I'm catching on. http://chemapps.stolaf.edu/jmol/docs/examples-12/chemdoodle/test1.htm You'll need Chrome for that, or maybe an iPad. iPhone/Java support later today, I expect. Bob -- Robert M. Hanson Professor of Chemistry St. Olaf College 1520 St. Olaf Ave. Northfield, MN 55057 http://w

Re: [Jmol-users] Jmol - ChemDoodle

2012-04-11 Thread Paul Pillot
Le 11 avr. 2012 à 19:14, Robert Hanson a écrit : > Paul, if you start working on a Jmol object-based script library, let me > know. I'd like to keep us talking as you develop that idea. I've only started this, with the feature detection package. My progress are slow but I am getting into Jmol.

Re: [Jmol-users] Jmol - ChemDoodle

2012-04-11 Thread Kevin Theisen
Hi Bob, Only ChemDoodleWeb-libs.js and ChemDoodleWeb.js are required: http://web.chemdoodle.com/installation/download The sketcher is a plugin, and jquery ui is used to make better looking interfaces, but is not necessary except for the sketcher. Most of the list is used by the WordPress templ

Re: [Jmol-users] Jmol - ChemDoodle

2012-04-11 Thread Robert Hanson
Paul, if you start working on a Jmol object-based script library, let me know. I'd like to keep us talking as you develop that idea. Can you tell me how you are getting ChemDoodle done to 250K? I see this: Directory of C:\temp\molgrabber-3d_files 04/11/2012 12:10 PM 107,767 ChemDoodl

Re: [Jmol-users] Jmol - ChemDoodle

2012-04-08 Thread Gutow, Jonathan H
I think Bob's list covers what we should be trying to deal with. Some comments. 1) I think we need to get organized. Pieces of this are already available. It would be a waste to duplicate too much effort. Do we want a wiki repository for example code? For example I'm working on the server s

Re: [Jmol-users] Jmol - ChemDoodle

2012-04-08 Thread Robert Hanson
OK. Go for it! I don't recommend starting with the super compressed JavaScript business, though. Keep it readable. But the idea, I think, is that we would have something like var jmol = new Jmol() and go from there, right? That would be great. Bob On Sun, Apr 8, 2012 at 11:28 AM, Paul Pillot

Re: [Jmol-users] Jmol - ChemDoodle

2012-04-08 Thread Paul Pillot
I'm willing to try ! -Paul Le 8 avr. 2012 à 17:29, Robert Hanson a écrit : > definitely should be done. Then one could be much more specific about which > applet you are working with, and everything would go a lot more smoothly. > Volunteers! > -

Re: [Jmol-users] Jmol - ChemDoodle

2012-04-08 Thread Robert Hanson
definitely should be done. Then one could be much more specific about which applet you are working with, and everything would go a lot more smoothly. Volunteers! On Sun, Apr 8, 2012 at 10:21 AM, Paul Pillot < paul.pil...@ac-orleans-tours.fr> wrote: > Extra thought : Do you think there would be ad

Re: [Jmol-users] Jmol - ChemDoodle

2012-04-08 Thread Paul Pillot
> Extra thought : Do you think there would be advantages at refactoring Jmol.js > code in much the same way as Chemdoodle's? (I can only see one : the > namespace concern and many drawbacks : the backward compatibility break). > > > Lots could be done with Jmol.js. What do you mean "in the sa

Re: [Jmol-users] Jmol - ChemDoodle

2012-04-08 Thread Robert Hanson
On Sun, Apr 8, 2012 at 2:09 AM, Paul Pillot wrote: > Great ideas Bob, > Chemdoodle is 250kb download when minified, but should be even less when > it comes server-side-gziped. The 800k relates to the unpacked version + > sketcher code (not loaded when you display mol files) I guess. > > Actually,

Re: [Jmol-users] Jmol - ChemDoodle

2012-04-08 Thread Rzepa Henry
> > There are four platform types: > > A -- Java but not WebGL (any laptop/desktop; any pre-2010 computer, > probably; any computer using standard MSIE) > B -- WebGL but not Java (iPad? Is that all? Not sure here...) > C -- WebGL and Java (some (all?) post-2009(?) computers using Firefox, > Chrom

Re: [Jmol-users] Jmol - ChemDoodle

2012-04-08 Thread Paul Pillot
Great ideas Bob, Chemdoodle is 250kb download when minified, but should be even less when it comes server-side-gziped. The 800k relates to the unpacked version + sketcher code (not loaded when you display mol files) I guess. The idea of setting up fallbacks is great. A colleague of mine also use

[Jmol-users] Jmol - ChemDoodle

2012-04-07 Thread Robert Hanson
I've spent some time looking through the ChemDoodle code. Very interesting! Wow, that's a lot of code -- is that really 800K+ JavaScript download? Really a lesson in logic to see how that all works. Amazing! I agree with Keven that Jmol and ChemDoodle are complementary. Jmol has a lot of coverage,

Re: [Jmol-users] Jmol/ChemDoodle

2012-04-06 Thread Rzepa Henry
To answer my own question about webGL on IE10, http://iewebgl.com/Faq.aspx "Q: What is the difference between native WebGL support and IEWebGL plugin ? A: There are several limitations in IE6, IE7 and IE8, because they do not support HTML video and HTML canvas, so the mentioned objects can't be

Re: [Jmol-users] Jmol/ChemDoodle

2012-04-06 Thread Rzepa Henry
On 6 Apr 2012, at 21:49, Kevin Theisen wrote: > Yes, I completely agree, the fragmentation is very annoying, but given that > WebGL only came out of beta status last year, I am not surprised. > > What I recommend is a grouping of technologies, so Jmol and ChemDoodle should > be used together t

Re: [Jmol-users] Jmol/ChemDoodle

2012-04-06 Thread Timothy Driscoll
On Apr 6, 2012, at 4:49 pm, Kevin Theisen wrote: > Of course, as development continues, WebGL and Javascript will continue to > get faster, graphics cards will be handled and removed from blacklists, WebGL > will appear in more browsers on more machines, and ChemDoodle will have more > and more

[Jmol-users] Jmol/ChemDoodle

2012-04-06 Thread Craig T Martin
everything seems to work. Craig Martin > Message: 2 > Date: Fri, 6 Apr 2012 14:20:12 -0500 > From: Robert Hanson > Subject: [Jmol-users] Jmol/ChemDoodle > To: jmol-users@lists.sourceforge.net > Message-ID: > > Content-Type: text/plain; charset="iso-8859-1" &

Re: [Jmol-users] Jmol/ChemDoodle

2012-04-06 Thread Timothy Driscoll
On Apr 6, 2012, at 4:32 pm, Robert Hanson wrote: > > Chrome is the same, except Chrome has software rendering, allowing for WebGL > pretty much everywhere. > > > OK, I get it. So Chrome's WebGL is a fake, essentially, and that explains why > it is absolutely destroying my battery life right n

Re: [Jmol-users] Jmol/ChemDoodle

2012-04-06 Thread Kevin Theisen
Yes, I completely agree, the fragmentation is very annoying, but given that WebGL only came out of beta status last year, I am not surprised. What I recommend is a grouping of technologies, so Jmol and ChemDoodle should be used together to reach all devices. Older graphics cards are less likely

Re: [Jmol-users] Jmol/ChemDoodle

2012-04-06 Thread Robert Hanson
On Fri, Apr 6, 2012 at 3:13 PM, Kevin Theisen wrote: > Firefox supports WebGL on all platforms. If it does not work, your > graphics card may be currently blacklisted. > > blacklisted? Hmm. Yes. That turns out to be the problem. What a royal pain. about:support says it's being blocked; Windows de

Re: [Jmol-users] Jmol/ChemDoodle

2012-04-06 Thread Kevin Theisen
Firefox supports WebGL on all platforms. If it does not work, your graphics card may be currently blacklisted. Chrome is the same, except Chrome has software rendering, allowing for WebGL pretty much everywhere. Safari supports WebGL on Mac OS X, you need to enable it in the Developer menu. Op

Re: [Jmol-users] Jmol/ChemDoodle

2012-04-06 Thread Timothy Driscoll
On Apr 6, 2012, at 4:01 pm, Philip Bays wrote: > I have looked at the page on my Mac (Snow Leopard). It does not work with > Safari, Camino, or omniweb, but does work with Firefox and Chrome. I get the > same black image with the web GL message. I think the browser-compatiobility > page is o

Re: [Jmol-users] Jmol/ChemDoodle

2012-04-06 Thread Philip Bays
I have looked at the page on my Mac (Snow Leopard). It does not work with Safari, Camino, or omniweb, but does work with Firefox and Chrome. I get the same black image with the web GL message. I think the browser-compatiobility page is out of date:-( On Apr 6, 2012, at 3:20 PM, Robert Han

[Jmol-users] Jmol/ChemDoodle

2012-04-06 Thread Robert Hanson
Kevin, I'm experimenting some with hybridizing Jmol and ChemDoodle. But I'm having problems just getting ChemDoodle to work at all. Can you tell us what the specific browser requirements (working versions) are for http://web.chemdoodle.com/demos/molgrabber-3d (I've seen http://web.chemdoodle.com/i