Re: [Jmol-users] How to retrieve the label of an atom programmatically

2014-01-15 Thread Roberto Mosca
Thanks Robert, but how to you retrieve it then programmatically? The instruction Jmol.evaluate(jmolApplet, print {atomNo= + atomNo + }.label); does not work. Let me know. Best, Roberto On Wed, Jan 15, 2014 at 6:58 AM, Robert Hanson hans...@stolaf.edu wrote: atom properties are numbers,

Re: [Jmol-users] How to retrieve the label of an atom programmatically

2014-01-15 Thread Rolf Huehne
On 01/15/2014 09:49 AM, Roberto Mosca wrote: Thanks Robert, but how to you retrieve it then programmatically? The instruction Jmol.evaluate(jmolApplet, print {atomNo= + atomNo + }.label); does not work. I wasn't aware of it but it seems that you need 'script(your_jmol_script_commands)'

[Jmol-users] display echo while calculating

2014-01-15 Thread Jaime Prilusky
I would like to have a message “Working …” while Jmol is calculating and rendering. The following script displays the message only while rendering. There’s no message while calculating. I’ve added some refresh commands just in case, but same result. Tried with different representations

Re: [Jmol-users] display echo while calculating

2014-01-15 Thread Rolf Huehne
On 01/15/2014 12:18 PM, Jaime Prilusky wrote: I would like to have a message “Working …” while Jmol is calculating and rendering. The following script displays the message only while rendering. There’s no message while calculating. I’ve added some refresh commands just in case, but same

Re: [Jmol-users] How to retrieve the label of an atom programmatically

2014-01-15 Thread Roberto Mosca
Hi Rolf, that is great! It works for me to!! I wouldn't mind if they write it somewhere in the wiki, though... (at least, I could not find even after a thorough search). Many thanks for your help, this really solved my issue! Best, Roberto On Wed, Jan 15, 2014 at 11:24 AM, Rolf Huehne

Re: [Jmol-users] How to retrieve the label of an atom programmatically

2014-01-15 Thread Angel Herráez
Hello Roberto that is great! It works for me to!! I wouldn't mind if they write it somewhere in the wiki, though... (at least, I could not find even after a thorough search). YOU can write it in the Wiki, just sign up as user and edit whatever page you feel is adequate. Maybe Recycling

Re: [Jmol-users] display echo while calculating

2014-01-15 Thread Jaime Prilusky
Thank you for a prompt reply, but it’s not working for me on 14.0.5. The command waitmessage is undocumented. Maybe it’s something you added? On Jan 15, 2014, at 1:48 PM, Rolf Huehne rhue...@fli-leibniz.de wrote: On 01/15/2014 12:18 PM, Jaime Prilusky wrote: I would like to have a message

[Jmol-users] display echo while calculating WORKING Ok

2014-01-15 Thread Jaime Prilusky
Please disregard previous mail. Your suggestion of using waitmessage works perfect. Thank you again, Jaim On Jan 15, 2014, at 3:06 PM, Jaime Prilusky jaime.prilu...@weizmann.ac.il wrote: Thank you for a prompt reply, but it’s not working for me on 14.0.5. The command waitmessage is

Re: [Jmol-users] display echo while calculating

2014-01-15 Thread Rolf Huehne
On 01/15/2014 02:06 PM, Jaime Prilusky wrote: Thank you for a prompt reply, but it’s not working for me on 14.0.5. The command waitmessage is undocumented. Maybe it’s something you added? Yes, its a Jena3D-specific addition to JSmol.min.js I made: I just updated the 'Jena3D Viewer' to Jmol

Re: [Jmol-users] How to retrieve the label of an atom programmatically

2014-01-15 Thread Robert Hanson
You are almost there. drop the PRINT command part: Jmol.evaluate(jmolApplet, {atomNo= + atomNo + }.label); or Jmol.evaluate(jmolApplet, @ + atomNo + .label); Note that you can use label() or label(..some format stuff here...) Bob On Wed, Jan 15, 2014 at 3:49 AM, Roberto Mosca

[Jmol-users] Day of reckoning is today

2014-01-15 Thread Robert Hanson
I'm here in Kingston, Jamaica, with Robert Lancashire, who just upgraded to Java 7u51. Here is the link to the specs: http://www.oracle.com/technetwork/java/javase/7u51-relnotes-2085002.html Primary importance is the security slider: Changes to Security Slider: The following changes to

Re: [Jmol-users] display echo while calculating

2014-01-15 Thread Robert Hanson
echo and refresh will certainly work for this. But realize that there is no updating it, because the calculation is not interruptable at all, including updating any such message. On Wed, Jan 15, 2014 at 6:18 AM, Jaime Prilusky jaime.prilu...@weizmann.ac.il wrote: I would like to have a

[Jmol-users] Is there any possible way to plot atom legend in Jmol?

2014-01-15 Thread 钟凯
Dear All: I am learning to use Jmol. I know labels could be used for each atom, but it sometimes looks messy. A atom legend in right down corner (like in Diamond) maybe better, so I am wondering there is any way to plot the atom legend in Jmol? Thanks, kai

Re: [Jmol-users] Is there any possible way to plot atom legend in Jmol?

2014-01-15 Thread Angel Herráez
Hello Kai, and welcome to Jmol! Your can put text in a corner using echo When you say an atom legend, which atom are you thinking of? One or several in the model? Will it change? Something that will change, or a fixed constant legend?

Re: [Jmol-users] Is there any possible way to plot atom legend in Jmol?

2014-01-15 Thread Angel Herráez
example of a static legend, if that's what you want: set echo e1 100% 5%; echo Carbon; color echo gray; set echo e2 100% 10%; echo Oxygen; color echo red; set echo e3 100% 15%; echo Nitrogen; color echo blue; --

Re: [Jmol-users] Day of reckoning is today

2014-01-15 Thread Rzepa, Henry S
Yes, I have been working hard with the RSC to update all instances of old Java on their journals site for our articles, and indeed a) the old ones do not work b) but Bob’s new signed one is fine! On 15 Jan 2014, at 16:54, Robert Hanson hans...@stolaf.edu wrote: I'm here in Kingston,

Re: [Jmol-users] Is there any possible way to plot atom legend in Jmol?

2014-01-15 Thread 钟凯
Thank you for the quick response. I say legend means: one atom of each element was showed in legend. For CaCO3, They are one Ca, one C and one O. For Copper Oxide, They are one Cu and one O atom. In legend, I want not only the text, but also the colorful atom spots, like the image I attached. Do

Re: [Jmol-users] Is there any possible way to plot atom legend in Jmol?

2014-01-15 Thread Angel Herráez
No, I don't think you can do that. All atoms will rotate and zoom, so the legend atoms will not stay attached to the corner. All you can use in echos is text. You can also put an image as the echo, but that will not change as you wish. If you are doing this in a webpage, you could add a second

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

2014-01-15 Thread Kubasik, Matt
Dear Bob and List, I've been trying to adapt Bob's vibrate.htm document to 1. read local Gaussian files (containing normal mode info) ; 2. Provide a drop-down menu of the normal modes. Non-working page is found here: www.neon22.com/jsmol/jsmol/jsmolvib700_e.htm I think my problem is with the

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

2014-01-15 Thread Robert Hanson
We identified a problem with jmolGetPropertyAsArray today, and that may be the problem. Please try the version at http://chemapps.stolaf.edu/jmol/zip/jmol-14.1.6_2014.01.15.zip ___JmolVersion=14.1.6_dev_2014.01.15 bug fix: GETPROPERTY command and function can return SV.toString() rather than