Re: [Jmol-users] JSME Structures Inserted Into Editable Div

gh. Now > it takes about ten seconds until it hides. Maybe the first time it just > took much longer. > > Regards, > Rolf > > -- > -- Otis Rothenberger o...@chemagic.com -- Slashdot TV.

Re: [Jmol-users] JSME Structures Inserted Into Editable Div

a few very simple demo pages and point them to > us, please? If you would like, I can include those in the Jmol distribution. > > Bob > > > On Thu, Sep 18, 2014 at 10:45 PM, Otis Rothenberger > wrote: > >> If editable divs are going to go anywhere for chemists, you have

[Jmol-users] JSME Structures Inserted Into Editable Div

it("&")[0]; startingStructure = localStorage.getItem(qsVal); } No AJAX. No remote server. It can all be run locally. JSME structures and reactions are depicted. Otis -- Otis Rothenberger o...@chemagic.com

[Jmol-users] Local Storage Notes Update

real potential here. Otis PS If you looked at this page before, you need to clear cache AND click the Erase All button. The Local Storage structure is completely different. -- Otis Rothenberger o...@chemagic.com --

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

-- > Slashdot TV. > Video for Nerds. Stuff that matters. > http://tv.slashdot.org/ > ___ > Jmol-users mailing list > Jmol-users@lists.sourceforge.net > https://lists.sourceforge.net/lists/li

Re: [Jmol-users] Local File Access

at matters. > http://tv.slashdot.org/ > ___ > Jmol-users mailing list > Jmol-users@lists.sourceforge.net > https://lists.sourceforge.net/lists/listinfo/jmol-users > > -- Otis Rothenberger o...@chemagic.com ---

Re: [Jmol-users] Local File Access

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://ch

Re: [Jmol-users] Local File Access

s, then the Jmol applet will start. >> > Philip Bays > Emeritus Professor of Chemistry > Saint Mary's College > Notre Dame, IN 46556 > pb...@saintmarys.edu > > > > > -- > Slashdot TV. > Video for Nerds. Stuff that matters. > ht

[Jmol-users] Running JSmol Locally on Mac Chrome

Local Storage Notebook.htm page now converts names and smiles type/pasted into a note to a structure image. What's a chemistry notebook without structures! Otis -- Otis Rothenberger o...@chemagic.com -- Slashdot TV. Video

[Jmol-users] Jmol Local Storage Notebook

ote taking functionality. This is possible with this embed concept. Any suggestions will be welcomed... Otis -- Otis Rothenberger o...@chemagic.com http://chemagic.com -- Slashdot TV. Video for Nerds. Stuff that mat

Re: [Jmol-users] Load Question

Jmol-users mailing list Jmol-users@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/jmol-users Otis Rothenberger <mailto:osrot...@chemagic.com> August 26, 2014 at 12:29 PM Bob, Is there any way to interrupt a load command if a load is hung due to a server d

[Jmol-users] Load Question

Bob, Is there any way to interrupt a load command if a load is hung due to a server down? Otis -- Otis Rothenberger o...@chemagic.com http://chemagic.com -- Slashdot TV. Video for Nerds. Stuff that matters. http

Re: [Jmol-users] JspecView file path

sers mailing list Jmol-users@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/jmol-users -- Otis Rothenberger o...@chemagic.com http://chemagic.com -- Slashdot TV. Video for Nerds. Stuff that m

[Jmol-users] Local Storage Revisited

working with local storage is amazingly simple to use. I'm interested in any feedback on how various browsers and platforms respond to all of this. Otis -- Otis Rothenberger o...@chemagic.com http://chemagi

[Jmol-users] MacBook and iPad Note

ally on content and seeing the results locally before I move content to server. And I can do it all on an iPad with very little pain. Otis -- Otis Rothenberger o...@chemagic.com http://chemagic.com -- __

Re: [Jmol-users] Test2

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] Local Storage

tate1") All kinds of things come to mind here. An in class Jmol/JME note book comes to mind immediately. Sorry if this is old hat, but like I said, this is all new and kind of wonderful to me. Otis --

Re: [Jmol-users] iFrame and Test Request

$("#vmk2").attr("src",url + "ethane.txt&echo=" + encEcho(echo)); } else { $('#vmk2')[0].contentWindow.introEcho = echo; $('#vmk2')[0]

[Jmol-users] iFrame and Test Request

- again cross domain. I have tested the former (Jmol script) - not the latter (JavaScript). Otis -- Otis Rothenberger o...@chemagic.com http://chemagic.com -- Infragistics Professional Build stunning WinForms apps

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

this. I was just interested in the various specific reasons. Thanks again for the response. Your answer to B is particularly helpful. Otis Rolf Huehne <mailto:rhue...@fli-leibniz.de> July 29, 2014 at 9:37 AM On 07/28/2014 04:55 PM, Otis Rothenberger wrote: I'm putting together a presen

[Jmol-users] Survey Question re Run Jmol Locally

lly out of the picture. E) Other Thanks in advance for any replies... Otis -- Otis Rothenberger o...@chemagic.com http://chemagic.com -- Infragistics Professional Build stunning WinForms apps today! Reboot you

[Jmol-users] RCSB

RCSB REST test site. Constructing a test post search on the RCSB REST page also produces 0 matches. It anyone else seeing this problem. Otis -- Otis Rothenberger o...@chemagic.com -- __

Re: [Jmol-users] State Question

ll that should not be it. Aren't you getting some sort of error > messages? > > I would use > > set debugscript > > first, then run that and see what it gives. > > Bob > > > > > > > > > > > On Wed, Jul 9, 2014 at 10:58 PM, Otis Rot

Re: [Jmol-users] JMol PHP Recentl error with Firefox 30

> > ___ > Jmol-users mailing list > Jmol-users@lists.sourceforge.net > https://lists.sourceforge.net/lists/listinfo/jmol-users > > -- Otis Rothenberger o...@chemagic.com ---

[Jmol-users] State Question

e, but I'm working with edited models, and the renumbering prevents atomno overlap produced by duplicating edited models. This is not a huge problem. I'm just curious if the renumbering is the guilty party. Otis -- Otis Rothenberger o...@chemagic.com

Re: [Jmol-users] Drag/Drop

rce business process management suite built on Java and Eclipse > Turn processes into business applications with Bonita BPM Community Edition > Quickly connect people, data, and systems into organized workflows > Winner of BOSSIE, CODIE, OW2 and Gartner awards > http://p.sf.net/s

Re: [Jmol-users] Drag/Drop

e.stopPropagation(); > e.preventDefault(); > > > That should read: > > Jmol.$appEvent(me, "appletdiv", "drop", function(e) { > var ev = e.originalEvent; > ev.stopPropagation(); > ev.preventDefault(); > >

[Jmol-users] Drag/Drop

Bob, I don't think this one is a cache issue: On the latest version of JSmol, I can no longer drag/drop/load a model from a molfile. Otis -- Otis Rothenberger o...@chemagic.com -- Open source business pr

Re: [Jmol-users] Jmol 14.2.1

Bob, Ignore the previous note. The Chrome cache clearing add-on is evidently a piece of junk! When I went into preferences to clear cache, the problem disappeared. Otis On Sun, Jun 29, 2014 at 4:36 PM, Otis Rothenberger wrote: > Bob, > > Safari seems OK, but I'm seeing errat

Re: [Jmol-users] Jmol 14.2.1

Bob, Safari seems OK, but I'm seeing erratic behavior in Chrome. This type of error message is popping up on a number of actions - some fatal some seemingly OK after closing the error dialog: [Java2Script] Script error: Unexpected token < JSmol/j2s/JW/BSUtil.js http://www.w3.org/TR/xhtml1/DTD/xh

Re: [Jmol-users] Disable crystal information

Angel, Set unitcell off takes them both out, at least in JSmol - text and cell. Per my second note, set unitcell off; draw unitcell MESH NOFILL while not elegant should get the job done. Otis -- Otis Rothenberger o...@chemagic.com http://chemagic.com On Jun 16, 2014, at 4:00 PM, Angel

Re: [Jmol-users] Disable crystal information

Herman, There may be a more elegant way to do this, but the following should work: set unitcell off; draw unitcell MESH NOFILL The mesh nofill prevents the drawing of the solid unit cell. You may have to play with colors if you don't want the default. Otis -- Otis Rothenber

Re: [Jmol-users] Disable crystal information

Angel and Herman, I think it's simply: set unitcell off Otis -- Otis Rothenberger o...@chemagic.com http://chemagic.com On Jun 16, 2014, at 2:46 PM, Angel Herráez wrote: > Then it must be a typo or a change > > When I enter in the console > show showunit? > &g

Re: [Jmol-users] JSmol2wp version 0.7 beta

Bob, Very nice executive summary on the whole issue: http://www.inchi-trust.org/fileadmin/user_upload/html/inchifaq/inchi-faq.html#2.9 Otis -- Otis Rothenberger o...@chemagic.com http://chemagic.com On Jun 11, 2014, at 10:08 AM, Robert Hanson wrote: > Should I just remove the differe

Re: [Jmol-users] JSmol2wp version 0.7 beta

uld give you an authoritative answer. Otis -- Otis Rothenberger o...@chemagic.com http://chemagic.com On Jun 11, 2014, at 10:08 AM, Robert Hanson wrote: > Should I just remove the difference and make "InChIKey" and "InChI" both > standard? > > > On Wed, Jun 11, 2

Re: [Jmol-users] JSmol2wp version 0.7 beta

exing utility of the earlier InChIKey is right up there with CAS #. Otis -- Otis Rothenberger o...@chemagic.com http://chemagic.com > > Note that "std" there is important -- PubChem keys models on standard > InChIKeys specifically. > > $show chemical inchikey > InC

Re: [Jmol-users] Testing Help

Thanks Greg, This is very helpful, especially your ability to test #2. I need to get back to the ISU folks to let them know that this seems to be working. Otis -- Otis Rothenberger o...@chemagic.com http://chemagic.com On Jun 9, 2014, at 4:44 AM, Greg.Black wrote: > Otis, >

[Jmol-users] Colblentz

;Type=IR It's access to the original Coblentz library by id number. Historically, interesting, possibly artistically interesting if you have a weird sense of art. Otis -- Otis Rothenberger o...@chemagic.com

[Jmol-users] Testing Help

de to https. Thanks for any assistance. Otis -- Otis Rothenberger o...@chemagic.com http://chemagic.com -- Learn Graph Databases - Download FREE O'Reilly Book "Graph Databases" is the definitive new

Re: [Jmol-users] saving files from JSmol in Chrome - filename is lost

Angel, In Chrome preferences, there is a checkbox option under downloads: "Ask where to save each file before downloading" If this option is checked, you will be able to name a download file before saving. Otis -- Otis Rothenberger o...@chemagic.com http://chemagic.com On May 27

Re: [Jmol-users] tying echoes to sets of frames

Greg, If you go to chemagic.com and click the miscellaneous button, the animation links are at the bottom of the misc control screen. The frames file for this one is chemagic.com/animations/diels_alderF.TXT Individual frames are simply molfiles pulled from Jmol. At the time we did this, we use

Re: [Jmol-users] tying echoes to sets of frames

in parallel planes.;delay 4;echo;} if (i == 233){display *;echo partial bonds all around;delay 4;echo;} delay @{frameInterval}; } echo The final product is this substituted cyclohexene. ;delay 3;boundbox {*};centerat boundbox;zoom 0; -- Otis Rothenberger o...@chemagic.com http://chemagic.com

Re: [Jmol-users] Jmol 14.1.15 released

Bob and Phil, I see the same thing. Bob, you're getting a 400 error because of an inadvertent space in your URL: http://pubchem.ncbi.nlm.nih.gov/rest/pug/compound /name/acetone/SDF?record_type=3d Note the space after the word "compound" in your URL above. Otis -- Otis

[Jmol-users] AtomNo AtomIndex Issue

consequence of convolution? Perhaps I should just use atomno for my subsequent operations. Otis -- Otis Rothenberger o...@chemagic.com http://chemagic.com -- Is your legacy SCM system holding you back? Join Perforce

Re: [Jmol-users] Jmol.evaluate problem

Thanks Bob. It's right there in the docs all marked in green! I just missed it. -- Otis Rothenberger o...@chemagic.com http://chemagic.com On Apr 21, 2014, at 6:31 PM, Robert Hanson wrote: > (Jmol.evaluate can only return String, Integer, or Float values, as was the > case

[Jmol-users] Jmol.evaluate problem

7;.find('SMILES','" + ans + "') > 0"); } After some really weird logic behavior, I finally took a look at this: alert(Jmol.evaluate(jmolApplet0, "'" + key + "'.find('SMILES','" + ans + "') > 0&quo

Re: [Jmol-users] Jmol.setInfo

s over the Jmol window, but again that info screen is so convenient. Otis -- Otis Rothenberger o...@chemagic.com http://chemagic.com On Apr 15, 2014, at 1:07 PM, Robert Hanson wrote: > You mean what you see with > > jmolApplet._showInfo(true) > > ? > > Info.console=&

[Jmol-users] Jmol.setInfo

Bob, Is there a way to turn off error reporting to the Jmol.setInfo screen? Otis -- Otis Rothenberger o...@chemagic.com http://chemagic.com -- Learn Graph Databases - Download FREE O'Reilly Book "Graph Dat

Re: [Jmol-users] Problem with Test2.htm CONFIRMATION

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

Re: [Jmol-users] Problem with Test2.htm

denly the load alert flashes on. Shortly after that a mouse movement makes the model disappear. I'm seeing it on iPad also. Again, it's random, so it's hard to test. Otis -- Otis Rothenberger o...@chemagic.com http://chemagic.com On Apr 12, 2014, at 10:10 PM, Otis Rothenberger wr

[Jmol-users] Problem with Test2.htm

conds, it just disappears. Is anyone else seeing this? Otis -- Otis Rothenberger o...@chemagic.com http://chemagic.com -- Put Bad Developers to Shame Dominate Development with Jenkins Continuous Integration Continu

[Jmol-users] Question re filetype

Bob, If I do var x= load "filePath" is there a quick way to determine the fileType of the file in x? I'm trying to make pre-load load script decisions. Otis -- Otis Rothenberger o...@chemagic.com http

Re: [Jmol-users] iPad Script Question

Thanks Bob. It's just that 2 looked weird to me. They both work on iPad and Android, so I'm a happy camper. Otis -- Otis Rothenberger o...@chemagic.com http://chemagic.com On Apr 6, 2014, at 11:23 PM, Robert Hanson wrote: > looks great to me > > > On Sat, A

[Jmol-users] iPad Script Question

Smol model kit on an iPad Air Safari is remarkable. I had pretty much given up hope on this several months ago. Android Chrome isn't too shabby either. Otis -- Otis Rothenberger o...@chemagic.com http://chemagic.com ---

Re: [Jmol-users] last chance before Jmol 14.1.11; JJSME/JSpecView

014) the nmrdb problem was evident there also. I think this was working earlier this week - server problems at some point along the route? Otis -- Otis Rothenberger o...@chemagic.com http://chemagic.com On Mar 21, 2014, at 6:08 PM, Pshemak Maslak wrote: > On 3/6/2014 11:23 PM, Robert Ha

Re: [Jmol-users] Problem with Firefox and PubChem download

SMILES. Otis -- Otis Rothenberger o...@chemagic.com http://chemagic.com On Mar 7, 2014, at 3:24 PM, Robert Hanson wrote: > Jmol handles this by POSTing the request, not GETting it: > > FileManager.getAtomSetCollectionFromFile(http://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/SDF?re

Re: [Jmol-users] Problem with Firefox and PubChem download

was a new cross domain issue. After your note, this may well work because I change the response type before I send it from the server - i.e. unrelated to cross domain. Otis -- Otis Rothenberger o...@chemagic.com http://chemagic.com On Mar 7, 2014, at 12:42 PM, Robert Hanson wrote: > I co

Re: [Jmol-users] Jmol speed

tone" << That URL is working on a direct browser load. I get all this remote stuff through AJAX and chemagic server scripts, so I'm not sure how long this may have been an issue. Mac Chrome is fine, and the subsequent cholesterol MEP speed is good. Is anyone else seeing this Pub

Re: [Jmol-users] wrong state after "calculate hydrogens"

05 2.012866841208727 0.7347967540624076 - - - - 7 H -0.4272906203972308 -0.45489682342005144 -0.9058099170150967 - - - - 8 H -0.7788497796450441 -0.2519180940621916 0.7347994928080308 - - - - 9 end "append inline";; Otis -- Otis Rothenberger o...@chemagic.com http://chemagic.com On Mar 1, 2

Re: [Jmol-users] ModelKit fix

ersion confused with the multiple version listings in the console. Here's the two versions by my best interpretation: 14.0.10_2014.02.19 14.1.11_2014.02.22 Otis -- Otis Rothenberger o...@chemagic.com http://chemagic.com On Feb 24, 2014, at 9:14 AM, Ron Mignery wrote: > The problem I

Re: [Jmol-users] Jmol 14.1.11_2014.02.22

needs to use measure. I'll check this out again in the morning. Otis -- Otis Rothenberger o...@chemagic.com http://chemagic.com On Feb 22, 2014, at 11:16 PM, Robert Hanson wrote: > ___JmolVersion="14.1.11_2014.02.22" > > http://chemapps.stolaf.edu/jmol/zi

Re: [Jmol-users] ModelKit broken in 14.0.10

Ron, I may not have played with it enough yet, but I don't see it crashing here: http://chemistry.illinoisstate.edu/osrothen/JSmolVMK2.htm Native model kit menu and our model kit script control menu seem ok on Mac Safari and Chrome. I can't check Windows right now. Otis -- Otis Ro

[Jmol-users] Question

Bob, I hate to bug you while you're chasing bugs (ouch), but a quick question: I currently load only JSmol.min.js on page load. Is there any file or files that could be loaded to immediately cache model kit activity, specifically bond and atom change? Otis -- Otis Rothenber

Re: [Jmol-users] Model Kit Bond Click - More Playing

o get a single box checked lead to uncertain actions. Otis -- Otis Rothenberger o...@chemagic.com http://chemagic.com On Feb 17, 2014, at 7:38 AM, Otis Rothenberger wrote: > Bob, > > I forgot to put in the note last night that you still cannot close the model > kit mode menu

Re: [Jmol-users] Model Kit Bond Click

Bob, I forgot to put in the note last night that you still cannot close the model kit mode menu once it's opened. Otis -- Otis Rothenberger o...@chemagic.com http://chemagic.com On Feb 17, 2014, at 2:20 AM, Otis Rothenberger wrote: > Bob, > > Our VMK page model edit links a

Re: [Jmol-users] Model Kit Bond Click

e working. This appears to be a menu problem. Otis -- Otis Rothenberger o...@chemagic.com http://chemagic.com On Feb 16, 2014, at 10:07 PM, Robert Hanson wrote: > Otis, could you try that again? With the release at SourceForge? > > This just replaces the file of the same released

Re: [Jmol-users] Model Kit Bond Click

rect call from a browser to Resolver. I've asked Markus about this, and he says it makes no sense to him, but there it is. Otis -- Otis Rothenberger o...@chemagic.com http://chemagic.com On Feb 15, 2014, at 7:20 PM, Robert Hanson wrote:

Re: [Jmol-users] Model Kit Bond Click

Sorry Bob. I was focusing on the NMR stuff, which I had on the ISU server. I had an older version of JSmol on the CheMagic server. It never dawned on me that model kit stuff might be broken on the new version. -- Otis Rothenberger o...@chemagic.com http://chemagic.com On Feb 15, 2014, at 5:36

[Jmol-users] Model Kit Bond Click

window. Otis -- Otis Rothenberger o...@chemagic.com http://chemagic.com -- Android apps run on BlackBerry 10 Introducing the new BlackBerry 10.2.1 Runtime for Android apps. Now with support for Jelly Bean, Bluetooth

Re: [Jmol-users] Jspecview

Oops, I left a word out - "problem." Whatever the **problem** is with Safari/iPad2/JSmol, it's gone on iPad Air. On iPad 2 (after iOS 7), JSmol was almost useless - painfully slow and frequent Safari crashes. On iPad Air, it's just fine. Otis -- Otis Rothenberger o.

Re: [Jmol-users] Jspecview

JSmol, it's gone in iPad Air. Otis -- Otis Rothenberger o...@chemagic.com http://chemagic.com On Feb 10, 2014, at 3:17 PM, Robert Hanson wrote: > Could be. > > Measurements are problematic. I'm not happy with the way it is, so feel free > to give suggestions. Probably

[Jmol-users] Jspecview

Bob, Is the following correct in Jspecview hnmr? 1) Double click starts a measurement. 2) Subsequent double click continues a measurement. 3) Single click ends a measurement. Also, can you clear the screen of measurements? Otis -- Otis Rothenberger o...@chemagic.com http://chemagic.com

Re: [Jmol-users] Spectra Predict Again

Bob, I think you're partly correct, but that error report is from your page. Actually, now that I think about it, you may be totally correct! Peter's test pages are 380X340. That may be more than just a suggestion. My page is tiny. Your page seems to be 300X300. Otis -- Otis Roth

Re: [Jmol-users] Spectra Predict Again

2530.cache.html, line 656) Otis -- Otis Rothenberger o...@chemagic.com http://chemagic.com On Feb 9, 2014, at 10:09 PM, Robert Hanson wrote: > > > > On Sat, Feb 8, 2014 at 7:36 PM, Otis Rothenberger > wrote: > Bob, > Error: Invalid negative value for attribute wid

Re: [Jmol-users] Spectra Predict Again

sages like: Error: Invalid negative value for attribute width="-51" keep popping up as the page is used. This occurs on your test page also. Otis -- Otis Rothenberger o...@chemagic.com http://chemagic.com On Feb 8, 2014, at 1:47 PM, Robert Hanson wrote: > What 2D conversion?

[Jmol-users] Spectra Predict Again

this means that the 2D to 3D (JME to Jmol) via Jmol.updateView(false) is not going via Resolver. Is that correct? Otis -- Otis Rothenberger o...@chemagic.com http://chemagic.com -- Managing the Performance of Cloud-

Re: [Jmol-users] Spectra

oor is not essential for me going to PubChem. For Resolver calls involving NIST, I need to do this. I'm not pulling IR and MS spectra from structured data files. I'm poking around NIST webpages, and the whole process is pretty nutty. Fortunately, NIST web pages are fairly structured. Otis

Re: [Jmol-users] Spectra

t JSME involved, do I need to remove it from the page? Do I need to run an actual sync script? Your js = Jmol._search; Jmol._search = function(applet, query) { unhideJSV(); js(applet, query); } seems to do it all - loading and syc. I'm missing something in this that does the sync. Otis -

Re: [Jmol-users] Spectra

Bob, Yeah, from PubChem or ChemSpider. I don't get it. Is that all that's required - 2D into JSpecView? Or does JSME need the 2D even though I'm not displaying it? Otis -- Otis Rothenberger o...@chemagic.com http://chemagic.com On Feb 6, 2014, at 7:23 AM, Robert Hanson wr

[Jmol-users] Spectra

27;re not crazy about this approach, but I would like basic model kit functionality when Resolver is down. Models in the PubChem database are just fine for our small model homework exercises. Otis -- Otis Rothenberger o...@chemagic.com http://chemagic.com --

Re: [Jmol-users] Animating an IRC computed using Gaussian

eInterval}; } I guess I could be missing something about evaluating frames for display once the file is loaded in Jmol??? But aside from that, isn't a frame a frame? Otis -- Otis Rothenberger o...@chemagic.com http://chemagic.com On Feb 2, 2014, at 10:15 AM, Rzepa, Henry S wrote:

Re: [Jmol-users] Animating an IRC computed using Gaussian

a previous animation he used as a template. He was doing some hide/show atoms in that previous animation. A funny thing happens when non-scripters play with this type of template: They love it! Tom went into an animation frenzy. Otis -- Otis Rothenberger o...@chemagic.com http://chemagic.com

Re: [Jmol-users] Animating an IRC computed using Gaussian

;delay 3;echo;} if (i == 159){display *;echo Loss of a proton, ;delay 3;echo;} if (i == 167){display *;echo regenerates the aromatic ring.;delay 3;} delay @{frameInterval}; } echo The final product is 1-chloro-4-methoxy-benzene.;delay 3;boundbox {*};centerat boundbox;zoom 0; Otis -- Otis Rothenberg

Re: [Jmol-users] jmol-14.1.8_2014.02.01 -- Get your predicted NMR spectra here!

ed correctly yet, but the basic idea works. Otis -- Otis Rothenberger o...@chemagic.com http://chemagic.com On Feb 1, 2014, at 10:56 PM, Otis Rothenberger wrote: > Robert and Robert, et al, > > Very, very, very, very nice! > > Thanks all > > Otis > >

Re: [Jmol-users] jmol-14.1.8_2014.02.01 -- Get your predicted NMR spectra here!

Robert and Robert, et al, Very, very, very, very nice! Thanks all Otis -- Otis Rothenberger o...@chemagic.com http://chemagic.com On Feb 1, 2014, at 2:54 PM, Robert Hanson wrote: > Robert Lancashire and I are happy to announce the first online open-source > fully JavaScript

Re: [Jmol-users] JSmol broken on Mac Safari back button

JSmol The only thing I can think is that it might be related to one of the page/Jmol loaded calls that I use: 1) body onload= 2) JSmol ready function 3) JSmol structure loaded callback Maybe also, server setting related to caching??? Otis -- Otis Rothenberger o...@chemagic.com http://chemagic.

Re: [Jmol-users] JSmol broken on Mac Safari back button

. You can also do this with JavaScript by defining an empty unbeforeunload function. I was never sure if either of these affected supporting files, however. I'm not sure you want to go this route. JSmol in user cache is a big plus. Otis -- Otis Rothenberger o...@chemagic.com http://ch

Re: [Jmol-users] Question: How is Info intended to be used?

Chuck, I'm sorry. I misunderstood. I thought you were trying to write Info variable data to Jmol.setInfo. Otis -- Otis Rothenberger o...@chemagic.com http://chemagic.com On Jan 28, 2014, at 12:54 PM, Otis Rothenberger wrote: > Chuck and Angle, > > I think I'm in b

Re: [Jmol-users] Question: How is Info intended to be used?

t 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 -- Otis Rothenberger o...@chemagic.com http://chemagic.com On Jan 28, 2014, at 12:16 PM, Angel Herráez wrote: > Hi, Chuck > > th

Re: [Jmol-users] Jmol 14.0.6 released

Afterthought: Phil, that's the neat thing about what Bob suggested. It takes "unique" SMILES off the table. Otis -- Otis Rothenberger o...@chemagic.com http://chemagic.com On Jan 21, 2014, at 3:23 PM, Otis Rothenberger wrote: > Bob and Phil, > > Two responses h

Re: [Jmol-users] Jmol 14.0.6 released

not work for stereo SMILES - just non-stereo SMILES. There may have been a recent change in this, but I don't think so. Otis -- Otis Rothenberger o...@chemagic.com http://chemagic.com On Jan 21, 2014, at 3:13 PM, Philip Bays wrote: > Bob: > As I recall, several years ago you w

Re: [Jmol-users] Jmol 14.0.6 released

s the big issue for us: 1) With InChI, you can really do some nice searches. 2) With InChIkey, we can do grading of JSME structure and JSmol model questions on interactive pages. Not having to interrupt these if Resolver is down is a nice feature. Otis -- Otis Rothenberger o...@chemagic.com

Re: [Jmol-users] Jmol 14.0.6 released

hough it is a limited database. Of course, our interest is fairly simple molecules. Otis -- Otis Rothenberger o...@chemagic.com http://chemagic.com -- CenturyLink Cloud: The Leader in Enterprise Cloud Services. Learn Why Mor

Re: [Jmol-users] Jmol 14.0.6 released

smiles to inchi over to ChemSpider. Caveats: 1) The inchi-->CAS resolution is from chemagic. 2) Jmol script running in this sequential load approach locks the page until the script finishes. 3) pop-ups have to be set as ok for the page. 4) The SMILES really needs to be URL escaped. Pino,

Re: [Jmol-users] vibrate.htm for Gaussian output?

eeded. I had some problems leaving it out, so I just continued to include it in my pages. If I have 10 JSmol objects in the body, I do 10 instantiations in the head. Otis -- Otis Rothenberger o...@chemagic.com http://chemagic.com On Jan 16, 2014, at 9:00 AM, Kubasik, Matt wrote: > Bob,

Re: [Jmol-users] Jmol.script() not returning

Jaim, Quick test on your side: Does alert(1234) work. No quotes - just alert(1234)? Otis -- Otis Rothenberger o...@chemagic.com http://chemagic.com On Jan 13, 2014, at 7:49 AM, Otis Rothenberger wrote: > I'm using 14.0.2. I can check out 14.0.5 later this morning. > >

Re: [Jmol-users] Jmol.script() not returning

tself made my problems go away - hence the function with no argument. Otis -- Otis Rothenberger o...@chemagic.com http://chemagic.com On Jan 13, 2014, at 7:36 AM, Jaime Prilusky wrote: > Have you tried it on 14.0.5 with HTML5? > > Jaim > > On Jan 13, 2014, at 2:26 PM, Otis

Re: [Jmol-users] Jmol.script() not returning

means changing your quote structure in the whole Jmol script. One thing that made issues go away for me completely is to simply use a function without an argument. That function, when called, can do anything you need done after the Jmol script executes. Otis -- Otis Rothenberger o.

Re: [Jmol-users] alertNoBinary

oads). I'd test this approach before any global site changes. Otis -- Otis Rothenberger o...@chemagic.com http://chemagic.com On Jan 10, 2014, at 3:55 PM, Spinney, Richard wrote: > I can help you with #1. The following makes it go away: > > >

Re: [Jmol-users] jsmol problems

Rick, I can help you with #1. The following makes it go away: Jmol._alertNoBinary = false; jmolApplet0 = Jmol.getApplet("jmolApplet0", Info); Otis -- Otis Rothenberger o...@chemagic.com http://chemagic.com On Jan 10, 2014, at 1:32 PM, Spinne

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