Re: [Jmol-users] loop on atom list broken in 13.1.9_dev

2012-11-28 Thread Rolf Huehne
On 11/27/2012 11:21 PM, Robert Hanson wrote: Not seeing that $ for(var i IN {selected}) {print i.label()} H #1 H #2 H #3 H #4 C #5 C #6 C #7 C #8 S #9 $ for(var i IN {selected}) {show i} i = ({0}) i = ({1}) i = ({2}) i = ({3}) i = ({4}) i = ({5}) i = ({6}) i = ({7}) i =

Re: [Jmol-users] JSmol update

2012-11-28 Thread Philip Bays
Bob: In the test2 example, I still am getting an error when trying to load the mo files. All that is shown is the file neame. On Nov 27, 2012, at 9:40 PM, Robert Hanson hans...@stolaf.edu wrote: http://chemapps.stolaf.edu/jmol/jsmol.zip http://chemapps.stolaf.edu/jmol/jsmol/test2.htm

[Jmol-users] Jmol call function

2012-11-28 Thread smith82
Dear all,   I'd like to ask you for help with my problem.I use jmol for viewing of my results, but now I need extend my solution. In my code I use command jmolButton:   jmolButton(model NEXT,Next)   I need call some php function and together use model NEXT, when I push the jmolButton. Can you

Re: [Jmol-users] Jmol call function

2012-11-28 Thread Simone Sturniolo
I have just started working with JSO, but I can tell you at least that you can replace the jmol script (model NEXT) with a Javascript function. You only have to pass an array [function_name, argument_1, argument_2...] to the jmolButton function. If your function does simple operations which can be

[Jmol-users] JSmol update

2012-11-28 Thread Greeves, Nick
Looks great, Bob. One of the issues until now was the JSmol applet taking its time to execute a command which effectively froze the page on a iPad until the command was completed. This may make that less of a problem. I'll test later. And No, I can't guess how it was done. Being patient is not

Re: [Jmol-users] Jmol call function

2012-11-28 Thread Angel Herráez
Hello Smith I have little experience with php, but I will tell you what you can do with Javascript and hopefully you can adapt it: jmolButton(model NEXT,Next) I need call some php function and together use model NEXT, when I push the jmolButton. Can you write me some

Re: [Jmol-users] JSmol update

2012-11-28 Thread Robert Hanson
Do you think it's your browser? On Wed, Nov 28, 2012 at 6:26 AM, Philip Bays pb...@saintmarys.edu wrote: Bob: In the test2 example, I still am getting an error when trying to load the mo files. All that is shown is the file neame. On Nov 27, 2012, at 9:40 PM, Robert Hanson

Re: [Jmol-users] JSmol update

2012-11-28 Thread Robert Hanson
Ah, by the way, I notice now that I have multithreading working, we are back to needing an operating script queue. Scripts are not being queued properly if they have any sort of move, moveTo, delay, or (animated) rotate command in them right now. On Wed, Nov 28, 2012 at 7:44 AM, Greeves, Nick

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

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

2012-11-28 Thread Angel Herráez
Pino, I suggest to first be sure that you clear your browser cache -- js files remain there and you might be seeing the effect of a mixture of old and new files -- Keep yourself connected to Go Parallel: INSIGHTS

Re: [Jmol-users] JSmol update

2012-11-28 Thread Philip Bays
Otis: I am using Safari, Firefox, and Camino (with which I have never used for JSmol until just now). I am getting an unrecognized file type error in all of them. I have not cleared the Safari cache because I do not see how to do it. It used to be in the Safari drop down menu. I do not

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

2012-11-28 Thread pino.stricc...@libero.it
Angel, i cleared the cache. Now the applet seems to load but when i load a molecule i receive format non recognized error. No javascript error in console (firefox or google chrome). Could be a problem of Jquery libraries that are different? a conflict? Pino Messaggio originale Da:

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

2012-11-28 Thread Angel Herráez
No idea But my server was giving me trouble serving some pdb and mol files. Maybe it's related. I could fix that by renaming to .pdb.txt or .mol.txt (this was with a former version of JSmol, I have not checked lately) The error was in the form of garbage characters in red font inside the

Re: [Jmol-users] JSmol update

2012-11-28 Thread Robert Hanson
the file that would be causing that error is http://chemapps.stolaf.edu/jmol/jsmol/JSmolCore.js or it's a problem with how JSmolCore determines whether your system can read binary files directly. Look in that file for // JSmolCore.js -- Jmol core capability 11/28/2012 1:56:34 PM at the top

Re: [Jmol-users] JSmol update

2012-11-28 Thread Otis Rothenberger
Phil, In the Preferences/Advanced menu, check Show develop menu in menu bar. There is an Empty Caches and a Disable Caches selection in the resulting Develop menu item. In the Safari menu selection there is also a Reset Safari... selection. They keep changing stuff like this to irritate us!

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

2012-11-28 Thread Jeff Hansen
I just checked some more. Now when I load using the HTML5 option in the first column then try to thread test, I get the non-recognized format error. The mo homo SQUARED and mo DENSITY also give the non-recognized format error. If I click on the WebGL load link the thread test does not give

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

2012-11-28 Thread Jeff Hansen
I'm seeing the same thing. I just did a system update to 10.7.5 then updated Safari to 6.0.2. I emptied the cache (Developer menu - turn on in Advanced tab of Preferences). I can load the caffeine molecule using HTML5. When I try to do the MO examples in the middle of the middle column I

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 Philip Bays
Last Saturday we were in the midst of looking at the Firefox error message showing up in both Firefox Safari. At that time I also mentioned this issue. In the next iteration of Bob's uploads, the Firefox error was corrected and the MO's loaded. Bob: whatever you did then needs to be done

Re: [Jmol-users] JSmol update

2012-11-28 Thread Robert Hanson
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 the orbitals for ALL occupied orbitals. You would really do this off line, create the JVXL file, and then call that up if it were on line. Bob On Wed, Nov 28, 2012 at 2:30

Re: [Jmol-users] JSmol update

2012-11-28 Thread Jeff Hansen
Working for me now although the behavior is still different for HTML5 vs. WebGL. The thread test for WebGL doesn't work right for me in Safari and the mo links give meshes that I can't see through in WebGL while with HTML5 I can see through them.

Re: [Jmol-users] JSmol update

2012-11-28 Thread Otis Rothenberger
Bob, OK, now it works, but there's another problem on the page. I believe the script on the MO DENSITY link might be wrong. While it loads in HTML5 mode, it does not display the MO in JAVA mode unless I enter: mo homo DENSITY The link script that loads the model does not id an MO. If I'm

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

2012-11-28 Thread Robert Hanson
-- Forwarded message -- From: Robert Hanson hans...@stolaf.edu Date: Wed, Nov 28, 2012 at 6:02 PM Subject: Re: [Jmol-users] R: Re: R: Re: R: JSmol -- Are we done? To: jmol-users@lists.sourceforge.net jmol-users@lists.sourceforge.net It's a problem with Safari not being able to

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

2012-11-28 Thread Robert Hanson
got it. -- required modifications to JSmoljQuery.js and JSmolCore.js Safari should be reading binary files properly now. http://chemapps.stolaf.edu/jmol/jsmol/test2.htm?USE=HTML5 -- water.xyz.gz or mo homo SQUARED links in HTML5 -- Robert M. Hanson Larson-Anderson Professor of Chemistry