Re: [Jmol-users] Minimize

2013-02-11 Thread Otis Rothenberger
Bob, I've got server issues. Suddenly, old files are showing up on the server. I think there may have been some back-up server issues. I have a note in to my provider. Otis -- Otis Rothenberger o...@chemagic.com http://chemagic.com On Feb 11, 2013, at 10:41 AM, Robert Hanson wrote

Re: [Jmol-users] JSmol size reductions

2013-02-10 Thread Otis Rothenberger
an old meta tag hanging around that was related to some MSIE problem I was having in the past: meta http-equiv=X-UA-Compatible content=IE=EmulateIE8 / Otis -- Otis Rothenberger o...@chemagic.com http://chemagic.com On Feb 9, 2013, at 11:10 PM, Robert Hanson wrote: I experimented some

Re: [Jmol-users] JSmol Touch Screen

2013-02-09 Thread Otis Rothenberger
, a pseudo hover on iPad (touch-pause), but it's of no use with JSmol other than the fact that to translate a selected model you definitely need to touch-pause before you move it. http://chemagic.com/modelkit/ Otis -- Otis Rothenberger o...@chemagic.com http://chemagic.com On Feb 8, 2013

Re: [Jmol-users] JSmol Touch Screen

2013-02-09 Thread Otis Rothenberger
Actually, for mouse manipulation, hover is still alive on in this touch mode, so mouse hover selects the model. With a mouse, you do not need to use the links to select the models - at least on Safari. Otis -- Otis Rothenberger o...@chemagic.com http://chemagic.com On Feb 9, 2013, at 8:20

Re: [Jmol-users] JSmol Touch Screen

2013-02-08 Thread Otis Rothenberger
the instruction touch-pause-drag. Otis -- Otis Rothenberger o...@chemagic.com http://chemagic.com On Feb 8, 2013, at 5:26 PM, Robert Hanson wrote: I have a touchscreen Windows 8 machine that I got specifically for this purpose. There are issues, primarily in that sometimes it starts firing BOTH

Re: [Jmol-users] Signed applet, LoadInline and ajax/db

2013-02-07 Thread Otis Rothenberger
Quentin, I'm not fully following your use of pipes, but I think one error is the following: sdf=sdf.replace(/\|/g,\n|); I think you need //n not just /n. Otis -- Otis Rothenberger o...@chemagic.com http://chemagic.com On Feb 7, 2013, at 11:31 AM, Quentin Delettre wrote: Dear jmol user

Re: [Jmol-users] Signed applet, LoadInline and ajax/db

2013-02-07 Thread Otis Rothenberger
Hi Paul and Quentin, I think the real problem is sdf=sdf.replace(/\|/g,\n|); The above regular expression is replacing | with n|. To replace | with the \n|, the expression needs to be: sdf=sdf.replace(/\|/g,\\n|); Otis -- Otis Rothenberger o...@chemagic.com http://chemagic.com On Feb 7

[Jmol-users] Resolver Questions

2013-02-03 Thread Otis Rothenberger
/NCI Resolver, many IUPAC name2SDF are now calculated: http://opsin.ch.cam.ac.uk Otis -- Otis Rothenberger o...@chemagic.com http://chemagic.com Begin forwarded message: Hi Otis, sorry for the late reply. Three questions - quick ones, I think: I'm putting together

Re: [Jmol-users] Are SMILES communications private?

2013-02-02 Thread Otis Rothenberger
David, On InChI, SMILES, and most common IUPAC, the Resolver structure is calculated by CATVS. Name is look-up. http://www2.ccc.uni-erlangen.de/software/cactvs/whatis.html Otis -- Otis Rothenberger o...@chemagic.com http://chemagic.com On Feb 2, 2013, at 4:07 PM, N David Brown wrote

[Jmol-users] Script Help

2013-02-01 Thread Otis Rothenberger
};color red;unbind single;bind single rotateSelected axisangle {1 1 1 @{_DELTAX*1}} Otis -- Otis Rothenberger o...@chemagic.com http://chemagic.com -- Everyone hates slow websites. So do we. Make your web apps faster

Re: [Jmol-users] Script Help

2013-02-01 Thread Otis Rothenberger
with a double binding, and I can do the selective rotation with single binding. I'm trying to improve the rotation script. Otis -- Otis Rothenberger o...@chemagic.com http://chemagic.com On Feb 1, 2013, at 9:48 AM, Robert Hanson wrote: is this rotation or spin? And what's so special about the iPad

Re: [Jmol-users] unexpected Java applet behavior

2013-01-30 Thread Otis Rothenberger
the problem. I could look up the context if it's useful, but your scenario comes close to what I was finding. Otis -- Otis Rothenberger o...@chemagic.com http://chemagic.com On Jan 30, 2013, at 1:09 PM, Robert Hanson wrote: Firefox 18.0.1 is showing very odd behavior. I'm wondering

Re: [Jmol-users] JSmol lite

2013-01-30 Thread Otis Rothenberger
Bob, The ability to load minimal with the possibility of expanding as needed would be wonderful! Otis -- Otis Rothenberger o...@chemagic.com http://chemagic.com On Jan 30, 2013, at 1:23 PM, Robert Hanson wrote: I'm wondering if we should try to produce a really trimmed-down lite

Re: [Jmol-users] unexpected Java applet behavior

2013-01-30 Thread Otis Rothenberger
clicking in a non-applet part of the page: if (nudgeTyp != ) { document.getElementById(script).blur(); document.getElementById(script).focus(); document.getElementById(script).blur(); } Like I said. I thought is was a general applet issue. Otis -- Otis Rothenberger o...@chemagic.com http

Re: [Jmol-users] unexpected Java applet behavior

2013-01-30 Thread Otis Rothenberger
Based on involved file dates, early November 2012. Otis -- Otis Rothenberger o...@chemagic.com http://chemagic.com On Jan 30, 2013, at 4:57 PM, Robert Hanson wrote: Yes, that would be it, I think. I have filed a bug report with Bugzilla. For how long have you observed this? https

Re: [Jmol-users] Jmol iPad app

2013-01-25 Thread Otis Rothenberger
not. 1) It would be usable with (as opposed to IN) iBooks and eBooks across a range of mobile devices. 2) You are not constrained by Apple's rules and control. I, personally, really don't like the latter issues. Otis -- Otis Rothenberger o...@chemagic.com http://chemagic.com On Jan 24, 2013

Re: [Jmol-users] JSmol Question

2013-01-24 Thread Otis Rothenberger
on the other hand is useless. iPad aside, I can't believe how easy it was to bring most of our virtual model kit functionality from Jmol applet to JSmol. Otis -- Otis Rothenberger o...@chemagic.com http://chemagic.com On Jan 24, 2013, at 12:50 AM, Robert Hanson wrote: isn't that called a double

[Jmol-users] JSmol Question

2013-01-23 Thread Otis Rothenberger
way to temporarily unbind LEFT alone so that it can be bound to the above script? If not, do any other touch executions of the above come to mind? I'm assuming above that LEFT alone would equate to touch-drag on the iPad. Otis -- Otis Rothenberger o...@chemagic.com http://chemagic.com

Re: [Jmol-users] JSmol Question

2013-01-23 Thread Otis Rothenberger
. It works pretty well with a stylus. What fun. Otis -- Otis Rothenberger o...@chemagic.com http://chemagic.com On Jan 23, 2013, at 4:15 PM, Robert Hanson wrote: you can certainly use UNBIND LEFT to unbind LEFT-CLICK. On Wed, Jan 23, 2013 at 7:34 AM, Otis Rothenberger osrot

[Jmol-users] SMILES Help

2013-01-19 Thread Otis Rothenberger
a JavaScript branch that depends on the FIND correlation of the window model smiles with a smiles in memory. Otis -- Otis Rothenberger o...@chemagic.com http://chemagic.com -- Master Visual Studio, SharePoint, SQL

Re: [Jmol-users] SMILES Help

2013-01-19 Thread Otis Rothenberger
OK, My bad... I found it. I have to quote dataSmiles for the Jmol script expression. Otis -- Otis Rothenberger o...@chemagic.com http://chemagic.com On Jan 19, 2013, at 9:58 AM, Otis Rothenberger wrote: Bob, If the dataSmiles exists at a JavaScript global, am I doing anything wrong

Re: [Jmol-users] JSmol version issue

2013-01-19 Thread Otis Rothenberger
my mind said, Duh, it's a gif in Preview! Otis -- Otis Rothenberger o...@chemagic.com http://chemagic.com On Jan 19, 2013, at 6:13 PM, Robert Hanson wrote: hah -- my reply bounced because the image was somehow still in the reply. OK, I've seen that error message before. I'm pretty sure

[Jmol-users] Compare Function

2013-01-17 Thread Otis Rothenberger
Bob, The compare function is broken for identical models. I see the code at ~62069 in core.z.js, but I cannot spot the problem. The function seems to work for everything but identical. Otis -- Otis Rothenberger o...@chemagic.com http://chemagic.com

Re: [Jmol-users] Compare Function

2013-01-17 Thread Otis Rothenberger
- just like on my page. Otis -- Otis Rothenberger o...@chemagic.com http://chemagic.com On Jan 17, 2013, at 5:17 PM, Robert Hanson wrote: is it broken in Jmol/Java as well? On Thu, Jan 17, 2013 at 3:29 PM, Otis Rothenberger osrot...@chemagic.com wrote: Bob, The compare function

Re: [Jmol-users] Compare Function

2013-01-17 Thread Otis Rothenberger
Thanks Bob. Looks good. I tried about 10 comparisons on my HTML5 page, and they were all correct. Otis -- Otis Rothenberger o...@chemagic.com http://chemagic.com On Jan 17, 2013, at 7:34 PM, Robert Hanson wrote: found it! OK, that was very helpful, Otis. We now have full SMILES matching

Re: [Jmol-users] JSmol version issue

2013-01-16 Thread Otis Rothenberger
to see if the script will complete. Script: http://chemistry.illinoisstate.edu/osrothen/JSmol/j2s/j2sjmol.js:6479 The line is in the consoleOutput function. 2) Is it possible to create a switch for float vs double if that's the issue? Otis -- Otis Rothenberger o...@chemagic.com http

Re: [Jmol-users] JSmol version issue

2013-01-16 Thread Otis Rothenberger
Thanks Nick, I'm in Florida, CheMagic is in North Carolina, and ISU is in Illinois, so that's not the problem. This is frustrating. I just don't get it. Nevertheless, I guess I should put 13.1.12_dev on CheMagic just to make sure it's not a server issue. Otis -- Otis Rothenberger o

[Jmol-users] Fixed

2013-01-16 Thread Otis Rothenberger
Ah, that fix solves my problem also - ISU and CheMagic. Both servers are now running the fixed version. Three seconds to mep on both servers. I'm happy, Mickey is happy, and Minnie is happy. Thanks, Bob Otis -- Otis Rothenberger o...@chemagic.com http://chemagic.com

[Jmol-users] JSmol version issue

2013-01-15 Thread Otis Rothenberger
/osrothen/modelkit/ At first, I thought it was a cache issue, but I think it's something else. The surface button followed by the mep link will show the difference. My first thought is that it's a version problem. Could this also be a server issue? Both are Windows servers. Otis -- Otis

Re: [Jmol-users] JSmol version issue

2013-01-15 Thread Otis Rothenberger
-- Otis Rothenberger o...@chemagic.com http://chemagic.com On Jan 15, 2013, at 7:02 PM, Robert Hanson wrote: I made one significant change last night, making all numbers in Jmol doubles instead of floats. Can you test this on the same server with http://chemapps.stolaf.edu/jmol/jsmol.zip

Re: [Jmol-users] JSmol version issue

2013-01-15 Thread Otis Rothenberger
://chemistry.illinoisstate.edu/osrothen/modelkit/ vs http://chemagic.com/modelkit/ Speed of mep load via Surfaces Button then mep link. Otis -- Otis Rothenberger o...@chemagic.com http://chemagic.com On Jan 15, 2013, at 8:15 PM, Robert Hanson wrote: I'm getting 10 seconds to mep

Re: [Jmol-users] JSmol version issue

2013-01-15 Thread Otis Rothenberger
seconds, 3 seconds, 5 seconds CheMagic 3 seconds 2-butanol second mep load Windows FF CheMagic 3 seconds The ISU (newer vesion) is slower, but it appears to be a real problem on a Mac Otis -- Otis Rothenberger o...@chemagic.com http://chemagic.com On Jan 15, 2013, at 8:15 PM, Robert Hanson

Re: [Jmol-users] JSmol version issue

2013-01-15 Thread Otis Rothenberger
is REALLY long for the ISU server on both Macs. Do double precision numbers have any bandwidth issues that might cause an ISP variable issue? Otis -- Otis Rothenberger o...@chemagic.com http://chemagic.com On Jan 15, 2013, at 9:49 PM, Jeff Hansen wrote: I didn't time it, but both sites similar

Re: [Jmol-users] Future of the Jmol applet == JSmol

2013-01-13 Thread Otis Rothenberger
as a model kit. I have the bad habit of changing web page file names, but the directory link below will always point to the JSmol model kit page: http://chemagic.com/modelkit/ Thanks again for making this transition possible, seemingly just in time. Otis -- Otis Rothenberger o...@chemagic.com

Re: [Jmol-users] Error Message

2013-01-12 Thread Otis Rothenberger
Bob, I get the basic flow of what's happening below, so I'll try. My JavaScript is pretty primitive and chaotic, so you'll have considerable clean up to do! Otis -- Otis Rothenberger o...@chemagic.com http://chemagic.com On Jan 11, 2013, at 10:47 AM, Robert Hanson wrote: That will take

Re: [Jmol-users] Error Message

2013-01-12 Thread Otis Rothenberger
())).slice(-2); mol += String(0 + (c.getMinutes())).slice(-2); mol += 3D 1 1.0 0.0 0; mol += \nJmol version + version + EXTRACT: ; alert(mol); } -- Otis Rothenberger o...@chemagic.com http://chemagic.com

[Jmol-users] Java

2013-01-11 Thread Otis Rothenberger
to the world on my Mac. Otis -- Otis Rothenberger o...@chemagic.com http://chemagic.com -- Master Visual Studio, SharePoint, SQL, ASP.NET, C# 2012, HTML5, CSS, MVC, Windows 8 Apps, JavaScript and much more. Keep your

[Jmol-users] Error Message

2013-01-10 Thread Otis Rothenberger
. In this case, I cannot get the extracted molfile. Does anything obvious come to mind on this error message? I should mention that I am currently using pre model kit mode pick callback code to replace atoms until I find the nature of this problem. Otis -- Otis Rothenberger o...@chemagic.com http

[Jmol-users] set picking DRAGSELECTED

2012-12-19 Thread Otis Rothenberger
Bob, In HTML5 JSmol, I see set picking DRAGSELECTED as working for translation, but shift-drag zooms rather than rotates. This is on Mac FF, Chrome, and Safari. Otis -- Otis Rothenberger o...@chemagic.com http://chemagic.com

Re: [Jmol-users] Gestures

2012-12-12 Thread Otis Rothenberger
pretty well. Otis -- Otis Rothenberger o...@chemagic.com http://chemagic.com On Dec 10, 2012, at 8:16 PM, Robert Hanson wrote: you can turn off anything that is bound. Are we talking about HTML5? You can just go into the JavaScript code in jsmol.js. I think you just have to have Jmol

Re: [Jmol-users] testing needed for xml loading

2012-12-10 Thread Otis Rothenberger
Bob, Mac Safari, Chrome, and Firefox are OK. Otis -- Otis Rothenberger o...@chemagic.com http://chemagic.com On Dec 10, 2012, at 7:22 AM, Robert Hanson wrote: I'd appreciate people testing http://chemapps.stolaf.edu/jmol/jsmol/test2.htm?USE=HTML5 for those top middle links involving

Re: [Jmol-users] testing needed for xml loading

2012-12-10 Thread Otis Rothenberger
Paul, That loads for me on Mac 10.7.5 with Chrome 23.0.1271.95. Otis -- Otis Rothenberger o...@chemagic.com http://chemagic.com On Dec 10, 2012, at 7:58 AM, Paul Pillot wrote: On Chrome MacOSX.6 no error with vasp.xml and water.xodydata. estron.cml reports the following error

Re: [Jmol-users] testing needed for xml loading

2012-12-10 Thread Otis Rothenberger
Paul, You're right. I see that also with both of the other files. If you load estron.cml first, everything seems OK - even going back to estron.cml from one of the other files. This is happening in Safari and Firefox also. Otis -- Otis Rothenberger o...@chemagic.com http://chemagic.com

Re: [Jmol-users] testing needed for xml loading

2012-12-10 Thread Otis Rothenberger
On Mac Safari, I now get an error on either of the first two files if I load the water.xodydata first. If I do not load this first, then playing with all three links does not produce an error. Otis -- Otis Rothenberger o...@chemagic.com http://chemagic.com On Dec 10, 2012, at 12:30 PM

[Jmol-users] Gestures

2012-12-10 Thread Otis Rothenberger
Bob, Is there a command to turn off (unbind) gestures other than finger drag? We're trying some iPad stuff where we want only model rotation. Otie -- Otis Rothenberger o...@chemagic.com http://chemagic.com

Re: [Jmol-users] Ketcher

2012-11-30 Thread Otis Rothenberger
Ketcher in its own iframe. I also use absolute positioning of all containers. This was probably asking for cross browser/platform issues. I guess it could also affect response. I'll keep working on it. Otis -- Otis Rothenberger o...@chemagic.com http://chemagic.com On Nov 30, 2012, at 8:11

Re: [Jmol-users] Ketcher

2012-11-30 Thread Otis Rothenberger
Phil, Good point. I just reduced its size to 680px. That appears to be the minimum. I also removed some code that was in the page when I was trying to avoid the iframe. That might have been causing some problems. Otis -- Otis Rothenberger o...@chemagic.com http://chemagic.com On Nov 30

Re: [Jmol-users] Ketcher

2012-11-30 Thread Otis Rothenberger
I'll send it to you as an off list attachment when I get them combined. Otis -- Otis Rothenberger o...@chemagic.com http://chemagic.com On Nov 30, 2012, at 10:30 AM, Robert Hanson wrote: It would be interesting to know more about those code collisions. We don't want to have to use

[Jmol-users] Ketcher

2012-11-29 Thread Otis Rothenberger
response. http://chemagic.com/ketcher/ It's under development, so there are probably bugs, but I think its great. Otis -- Otis Rothenberger o...@chemagic.com http://chemagic.com -- Keep yourself connected to Go

Re: [Jmol-users] Ketcher

2012-11-29 Thread Otis Rothenberger
is a quick way to see if Resolver is up. Otis -- Otis Rothenberger o...@chemagic.com http://chemagic.com On Nov 29, 2012, at 5:32 PM, Robert Hanson wrote: Ah, now you're talking! Let's get that connected to JSmol! On Thu, Nov 29, 2012 at 12:40 PM, Otis Rothenberger osrot...@chemagic.com

Re: [Jmol-users] JSmol update

2012-11-28 Thread Otis Rothenberger
Phil, On Safari 6.0.2, I load the MO files. Are you using Safari? Otis -- Otis Rothenberger o...@chemagic.com http://chemagic.com On Nov 28, 2012, at 12:46 PM, Robert Hanson wrote: Do you think it's your browser? On Wed, Nov 28, 2012 at 6:26 AM, Philip Bays pb...@saintmarys.edu wrote

Re: [Jmol-users] JSmol update

2012-11-28 Thread Otis Rothenberger
! I'll try other browsers on Mac to see if I see the problem there. Otis -- Otis Rothenberger o...@chemagic.com http://chemagic.com On Nov 28, 2012, at 2:04 PM, Philip Bays wrote: Otis: I am using Safari, Firefox, and Camino (with which I have never used for JSmol until just now). I am

Re: [Jmol-users] JSmol update

2012-11-28 Thread Otis Rothenberger
Phil, My bad. I missed the MO HOMO SQUARED and MO DENSITY links. They are not loading with Jmol or HTML5. Otis -- Otis Rothenberger o...@chemagic.com http://chemagic.com On Nov 28, 2012, at 3:01 PM, Otis Rothenberger wrote: Phil, In the Preferences/Advanced menu, check Show develop

Re: [Jmol-users] JSmol update

2012-11-28 Thread Otis Rothenberger
Bob and Phil, I think the relevant smol file is missing from this directory: http://chemapps.stolaf.edu/jmol/jsmol/ Otis -- Otis Rothenberger o...@chemagic.com http://chemagic.com On Nov 28, 2012, at 3:30 PM, Otis Rothenberger wrote: Phil, My bad. I missed the MO HOMO SQUARED and MO

Re: [Jmol-users] JSmol update

2012-11-28 Thread Otis Rothenberger
correct, why does it display in HTML5 mode? Otis -- Otis Rothenberger o...@chemagic.com http://chemagic.com On Nov 28, 2012, at 4:53 PM, Robert Hanson wrote: yes, of course! Try now. Note that the density one is not the sort of thing to have on a web site -- this has to calculate

Re: [Jmol-users] JSmol -- Are we done? Gestures

2012-11-26 Thread Otis Rothenberger
? Otis -- Otis Rothenberger o...@chemagic.com http://chemagic.com On Nov 26, 2012, at 4:41 PM, Robert Hanson wrote: On Mon, Nov 26, 2012 at 3:18 PM, Paul Pillot paul.pil...@ac-orleans-tours.fr wrote: So many improvements, it's hard to keep pace. I've just (re)tried with an iPad

Re: [Jmol-users] JSmol -- Are we done? Gestures

2012-11-26 Thread Otis Rothenberger
it to automatic optimize based on new SMILES after each edit, but it works pretty quickly. I'm working with a 450X450 canvas. I need to make the canvas larger for the iPad. Even with that, it's going to work best with a stylus. Otis -- Otis Rothenberger o...@chemagic.com http://chemagic.com On Nov

Re: [Jmol-users] JSmol -- Are we done?

2012-11-24 Thread Otis Rothenberger
I also get the Firefox error in Safari 6.0.2. It occurs on the first load - not on reload. After several cache clearing tests, the message always appears on the first load after the cache clear - not on reloads. It's almost like a reverse cache problem! Otis -- Otis Rothenberger o

Re: [Jmol-users] JSmol -- Are we done?

2012-11-24 Thread Otis Rothenberger
Oliver, They sure do. I'm using both atom and bond pickCallBacks to produce model kit actions. Otis -- Otis Rothenberger o...@chemagic.com http://chemagic.com On Nov 24, 2012, at 6:52 PM, Oliver Stueker wrote: First of all: JSmol is a really GREAT idea and I am still stunned how good

Re: [Jmol-users] JSmol - three months in

2012-11-21 Thread Otis Rothenberger
This now works on Mac Firefox 17.0 - very fast load even after cache is cleared. Otis -- Otis Rothenberger o...@chemagic.com http://chemagic.com On Nov 21, 2012, at 2:52 PM, Robert Hanson wrote: thanks. This is a step I forget because it doesn't affect my browser. Those are byte-order

[Jmol-users] AJAX Question

2012-11-17 Thread Otis Rothenberger
an AJAX call to get CID first. With the CID, I can load the SDF. Are you still making this initial CID call? Otis -- Otis Rothenberger o...@chemagic.com http://chemagic.com -- Monitor your physical, virtual and cloud

Re: [Jmol-users] Firefox change

2012-11-15 Thread Otis Rothenberger
] = org.jmol.g3d.TextRenderer.translucency[p 5]; } } } -- Otis Rothenberger o...@chemagic.com http://chemagic.com On Nov 15, 2012, at 11:25 AM, Robert Hanson wrote: Overnight I got an automatic Windows update; don't know if that is involved, but I notice that this morning I can no longer troubleshoot JSmol

Re: [Jmol-users] Position of JSmol Container

2012-11-14 Thread Otis Rothenberger
Thanks for the suggestion Angel, but no luck. I tried several variations of position. The right zoom region is just expanding as I move the canvas position to the right. Otis -- Otis Rothenberger o...@chemagic.com http://chemagic.com On Nov 14, 2012, at 11:04 AM, Angel Herráez wrote: Hi

[Jmol-users] JSmol Question

2012-11-14 Thread Otis Rothenberger
Bob, If I am directing the page load toward HTML5 only, do I have any inherent JavaScript model loaded notice (variable) available? Otis -- Otis Rothenberger o...@chemagic.com http://chemagic.com -- Monitor your

Re: [Jmol-users] JSmol loading binary files on all platforms

2012-11-12 Thread Otis Rothenberger
. This instance runs at 100% CPU, and you cannot use Force Quit to get rid of it. I'm curious if anyone else has seen this. Otis -- Otis Rothenberger o...@chemagic.com http://chemagic.com On Nov 12, 2012, at 5:59 AM, Philip Bays wrote: Bob: This is very nice!! I note that on Mac Safari

Re: [Jmol-users] JSmol loading binary files on all platforms

2012-11-12 Thread Otis Rothenberger
seen the temperature problem since. When I need to run Firefox, I keep touching my computer to make sure the temperature is OK! Otis -- Otis Rothenberger o...@chemagic.com http://chemagic.com On Nov 12, 2012, at 5:22 PM, Philip Bays wrote: On Nov 12, 2012, at 5:19 PM, Philip Bays wrote

Re: [Jmol-users] packaging success

2012-11-02 Thread Otis Rothenberger
; if (p != 0) { this.tmap[i] = org.jmol.g3d.TextRenderer.translucency[p 5]; } } } -- Otis Rothenberger o...@chemagic.com http://chemagic.com On Nov 2, 2012, at 1:34 AM, Robert Hanson wrote: How long does it take for the load, roughly, in seconds? On Fri

Re: [Jmol-users] packaging success

2012-11-02 Thread Otis Rothenberger
Java on Mac Chrome. The new Java update pretty much eliminates this possibility for Chrome. Otis -- Otis Rothenberger o...@chemagic.com http://chemagic.com On Nov 2, 2012, at 1:13 AM, Robert Hanson wrote: OK, JSmol is loading from one core file now, with additional file loading

Re: [Jmol-users] packaging success

2012-11-02 Thread Otis Rothenberger
after repeated use of CTRL-[+] and CTRL-[-]. Use View...reset and then it should be OK, and I believe I fixed that anyway. On Fri, Nov 2, 2012 at 7:46 AM, Otis Rothenberger osrot...@chemagic.com wrote: Bob, Chrome Windows and Mac are about 7 seconds. Firefox Windows and Mac

Re: [Jmol-users] packaging success

2012-11-02 Thread Otis Rothenberger
] = Clazz.newArray (xargs, f); } return arr; }; -- Otis Rothenberger o...@chemagic.com http://chemagic.com On Nov 2, 2012, at 2:06 PM, Otis Rothenberger wrote: Bob, On both Mac and Windows, I cleared cache and rebooted. The FF problem persists. Here's the Windows error log

Re: [Jmol-users] Apple Java

2012-10-23 Thread Otis Rothenberger
with the first update attempt, but I think I checked Settings, and I don't remember seeing it. The settings in the Java control seem ok. Rebooted machine. Java now works in Safari. Editorial Comment: Cripes! Best, Otis -- Otis Rothenberger o...@chemagic.com http://chemagic.com On Oct 17

[Jmol-users] NIST, MEPS, and the Ethanol Puppy

2012-10-10 Thread Otis Rothenberger
suggestion made at BCCE turned out to be important. There is also enough information in the NIST compound page to ID the proper spectrum index. The identifier route here is Jmol SMILES to Resolver CAS # to NIST Spectrum. It's that simple. Otis -- Otis Rothenberger o...@chemagic.com http

Re: [Jmol-users] ion sizes

2012-09-25 Thread Otis Rothenberger
I'm playing with CIF files for the first time myself. The radii are VdW, and the following script components may be useful to you: connect delete;spacefill IONIC 30%;label Edit features in or out per your needs. Otis -- Otis Rothenberger o...@chemagic.com http://chemagic.com On Sep 25

Re: [Jmol-users] Jmol inoperable in Safari w/ Java 1.6.0_33

2012-09-04 Thread Otis Rothenberger
to download Java 7 for Mac OS X (10.7.3 and above). -- Otis Rothenberger o...@chemagic.com http://chemagic.com On Sep 4, 2012, at 2:39 PM, Rzepa Henry wrote: On 4 Sep 2012, at 19:18, Oliver Stueker revilo2...@users.sourceforge.net wrote: Hi, the security issues with Java 1.7 also

[Jmol-users] Jmol SMILES

2012-07-24 Thread Otis Rothenberger
Bob, Are Jmol SMILES internally unique? Otis -- Otis Rothenberger o...@chemagic.com http://chemagic.com -- Live Security Virtual Conference Exclusive live event will cover all the ways today's security and threat

[Jmol-users] Model Selection

2012-07-13 Thread Otis Rothenberger
}.atomIndex.max + 1;t = {1.2}.atomIndex.min;select within(branch, {atomIndex = k}, {atomIndex=t}); hide selected But I don't know how to incorporate the frame index i into the expression. Otis -- Otis Rothenberger o...@chemagic.com http://chemagic.com

Re: [Jmol-users] Model Selection

2012-07-13 Thread Otis Rothenberger
Angel, Bingo! That works. Thanks Otis -- Otis Rothenberger o...@chemagic.com http://chemagic.com On Jul 13, 2012, at 2:51 PM, Angel Herráez wrote: Otis, maybe { model=i } ? e.g. this works: print {model=2}.atomindex.min

[Jmol-users] NIST Connection

2012-07-12 Thread Otis Rothenberger
suggestions on this. Otis -- Otis Rothenberger o...@chemagic.com http://chemagic.com -- Live Security Virtual Conference Exclusive live event will cover all the ways today's security and threat landscape has changed

Re: [Jmol-users] Google as an InChI to CAS Resolver for NIST Spectra

2012-07-04 Thread Otis Rothenberger
Bob, On our end, this all started with a request from one of Tom's colleagues. He's using the VMK in a service outreach lecture series to discuss, among other things, how chemists know what molecules look like. We thought it would be neat to be able to discuss this with a series of edited

[Jmol-users] Google as an InChI to CAS Resolver for NIST Spectra

2012-07-03 Thread Otis Rothenberger
, but this is doable. Otis -- Otis Rothenberger o...@chemagic.com http://chemagic.com -- Live Security Virtual Conference Exclusive live event will cover all the ways today's security and threat landscape has

Re: [Jmol-users] Google as an InChI to CAS Resolver for NIST Spectra

2012-07-03 Thread Otis Rothenberger
index= query. At first, I though I could go directly to NIST with the InChI to parse the CAS #. Unfortunately, such a query often returns an intervening options page that has no CAS numbers. Otis -- Otis Rothenberger o...@chemagic.com http://chemagic.com On Jul 3, 2012, at 2:49 PM, Robert

Re: [Jmol-users] Google as an InChI to CAS Resolver for NIST Spectra

2012-07-03 Thread Otis Rothenberger
compounds there for IR. We could almost just catalog them. Maybe Markus can add them to the Resolver. Do you need an introduction? Bob On Tue, Jul 3, 2012 at 2:07 PM, Otis Rothenberger osrot...@chemagic.com mailto:osrot...@chemagic.com wrote: Bob, Almost, but not quite. ACS makes money

Re: [Jmol-users] Resolver Test Request

2012-07-01 Thread Otis Rothenberger
Just to close this issue: I waited a few days to make sure the problem was fixed. It seems it was a proxy server issue. I changed the FIrefox default of from auto detect proxy to no proxy, and this seems to have solved the problem. Thanks again... Otis -- Otis Rothenberger o...@chemagic.com

Re: [Jmol-users] Resolver Test Request

2012-06-28 Thread Otis Rothenberger
my server. Did I understand Bob correctly? Is it theoretically possible to hit Resolver directly via the JmolScript? Otis -- Otis Rothenberger o...@chemagic.com http://chemagic.com On Jun 28, 2012, at 9:07 AM, Paul Pillot wrote: Tried it twice today (morning and afternoon): - first link

Re: [Jmol-users] Resolver Test Request

2012-06-28 Thread Otis Rothenberger
Jeff, I'm reading the Resolver files as http, and I'm not messing with the headers. It never bothered me because the load works, but maybe that's part of the problem. Markus? Otis -- Otis Rothenberger o...@chemagic.com http://chemagic.com On Jun 28, 2012, at 8:32 AM, Jeff Hansen wrote

Re: [Jmol-users] Resolver Test Request

2012-06-28 Thread Otis Rothenberger
appropriate addresses and give this a try. The main importance of your feedback is that it shows that this is not a Resolver issue. It has to be a local issue. Thanks again for the feedback. Markus, thanks for looking into this. Otis -- Otis Rothenberger o...@chemagic.com http://chemagic.com

Re: [Jmol-users] Resolver Test Request

2012-06-28 Thread Otis Rothenberger
exclusively and only use other browsers to check my scripting. I'll change the FF default on DNS prefetching to see if this solves the problem. Thanks again... Otis -- Otis Rothenberger o...@chemagic.com http://chemagic.com On Jun 28, 2012, at 1:03 PM, Otis Rothenberger wrote: All- Thanks

[Jmol-users] Resolver Test Request

2012-06-27 Thread Otis Rothenberger
with this note), would you forward this note to the ISU chemistry faculty list? Thanks in advance for any help. You'll either get the sdf of (R)-2-chlorobutane or you'll timeout. Otis -- Otis Rothenberger o...@chemagic.com http://chemagic.com

Re: [Jmol-users] Key Event Capture

2012-06-26 Thread Otis Rothenberger
. It needed to be preceded by the blur(). The final blur() is inserted so subsequent key pressing does not mess up my field contents. The net result is that after an atom click, key capture is returned to the page. Otis -- Otis Rothenberger o...@chemagic.com http://chemagic.com On Jun 26, 2012

[Jmol-users] Key Event Capture

2012-06-25 Thread Otis Rothenberger
the page keystroke capture. Clicking the page itself does not reinitiate the capture. I suspect that this is a general applet issue. Is there any way within JmolScript to reinitiate this page JavaScript behavior? Otis -- Otis Rothenberger o...@chemagic.com http://chemagic.com

Re: [Jmol-users] Applet Fatigue

2012-06-23 Thread Otis Rothenberger
in the surface calculation 0 contour lines; separation = 0.14 isosurface1 created with cutoff=0.0; isosurface count: 1 isosurface full data range -0.08323054 to 0.08682171 with color scheme spanning -0.07 to 0.07 Script completed Jmol script terminated -- Otis Rothenberger o...@chemagic.com http

Re: [Jmol-users] Applet Fatigue

2012-06-22 Thread Otis Rothenberger
) at org.jmol.viewer.ScriptManager$ScriptQueueRunnable.runNextScript(Unknown Source) at org.jmol.viewer.ScriptManager$ScriptQueueRunnable.run(Unknown Source) at java.lang.Thread.run(Unknown Source) -- Otis Rothenberger o...@chemagic.com http://chemagic.com On Jun 21, 2012, at 10:44

Re: [Jmol-users] Applet Fatigue

2012-06-22 Thread Otis Rothenberger
Bob, I'm in Tampa right now.I have the entire console report at home, and I'll send it when I get back to Anna Maria Island. For what it's worth now, I'm pretty sure that I was repeatedly clicking the Load ethane link on the VMK Edit screen. I noticed the hang up when I clicked the MEP 100

[Jmol-users] Applet Fatigue

2012-06-21 Thread Otis Rothenberger
. Things that cause this fatigue have worked numerous times prior to the onset of a fatigue incident. I cannot raise the Jmol console to look at history, however. Does this sound like a Java memory issue? Does anyone else have experience with applet fatigue? Otis -- Otis Rothenberger o

[Jmol-users] ChemSpider

2012-06-19 Thread Otis Rothenberger
will be returned. This latter point is actually of some use in partial structure/name searches. Otis -- Otis Rothenberger o...@chemagic.com http://chemagic.com -- Live Security Virtual Conference Exclusive live event

Re: [Jmol-users] Arrows and Lines

2012-06-01 Thread Otis Rothenberger
Bob, That fixes the arrow problem. Thanks Otis -- Live Security Virtual Conference Exclusive live event will cover all the ways today's security and threat landscape has changed and how IT managers can respond.

[Jmol-users] Arrows and Lines

2012-05-31 Thread Otis Rothenberger
Bob, Lines (and curves) are draggable and arrows are not. Is this a correct observation? I am seeing that while arrows do not actually move, the new arrow position resulting from a drag attempt is reported in the console. Again is this correct? Otis -- Otis Rothenberger o...@chemagic.com

[Jmol-users] SMILES

2012-05-20 Thread Otis Rothenberger
on the virtual model kit to make either XeHHYY, the resulting SMILES does not reflect stereochemisty. If, however, you do the same thing with deuterium, the stereochemisry IS reflected in the SMILES. Bug or inherent behavior of H replace in modelkitmode? Otis -- Otis Rothenberger o

[Jmol-users] Eval Function

2012-05-17 Thread Otis Rothenberger
Bob, Is there a way to execute JmolScript that is in a string variable - i.e. an eval function approach? Otis -- Otis Rothenberger o...@chemagic.com http://chemagic.com -- Live Security Virtual Conference Exclusive

Re: [Jmol-users] Eval Function

2012-05-17 Thread Otis Rothenberger
Paul, It doesn't look like an eval function, but it sure quacks like one. It's an eval function! That does the job for me. Thanks. Otis -- Otis Rothenberger o...@chemagic.com http://chemagic.com On May 17, 2012, at 2:16 PM, Paul Pillot wrote: Have you tried this approach : script

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