Nice to see *draw pointgroup* being used. That was a fun addition to make to
Jmol -- the result of a "Bob Challenge" at the Biennial Conference on
Chemical Education a three years ago. (The challenge for the crowd was to
come up with a new idea for Jmol that I would then take on as a challenge to
have implemented before the end of the conference.) Dean Johnston was the
winner with the idea of doing point group analysis, and we spent long nights
that week getting it working. (He was then responsible for keeping me awake
and supplied with nourishment while coding and also supplying the inorganic
chemist's logic for point group assignment. All I had to do was code. It was
great fun.) I only had to make a few minor tweaks on that since. Dean has
done a fabulous job putting it in context with his pages at
http://symmetry.otterbein.edu/.
Bob
On Tue, Jul 5, 2011 at 2:47 AM, Inbal Tuvi-Arad <[email protected]> wrote:
> It works! What an upgrade to my daily work!****
>
> ** **
>
> Thank you very much.****
>
> Inbal****
>
> ** **
>
> *From:* Robert Hanson [mailto:[email protected]]
> *Sent:* Tuesday, July 05, 2011 12:13 AM
>
> *To:* [email protected]
> *Subject:* Re: [Jmol-users] Drawing symmetry elements across models****
>
> ** **
>
> frame first;while (true) {draw pointgroup;if (_modelNumber ==
> _lastframe){break};frame next}****
>
> On Mon, Jul 4, 2011 at 1:01 AM, Inbal Tuvi-Arad <[email protected]>
> wrote:****
>
> Dear Bob,****
>
> Thank you for your answer. If I understand correctly, once the bug is
> fixed - if I have 10 models in my file I would need to type 10 lines in
> order to display the symmetry elements on all models. It would be nice to
> have the possibility to type something similar to "set measureAllModels ON"
> and then type "draw pointgroup" in order to get the job done.****
>
> ****
>
> Best wishes,****
>
> Inbal****
>
> ****
>
> *From:* Robert Hanson [mailto:[email protected]]
> *Sent:* Sunday, July 03, 2011 8:28 PM
> *To:* [email protected]
> *Subject:* Re: [Jmol-users] Drawing symmetry elements across models****
>
> ****
>
> That's a bug. Thank you for letting us know about it.
>
> Fixed for 12.0.47 and 12.1.51 See
> http://chemapps.stolaf.edu/jmol/docs/examples-12/Jmol-12.zip
>
>
> Make sure also that you select just the atoms of one model and also go to
> that model's frame before issuing the draw command.
>
> frame 1.1;select 1.1;draw pointgroup
> frame 1.2;select 1.2;draw pointgroup
> ...
>
>
> like that. Please let me know if that works or not.
>
> Bob Hanson
>
>
>
> ****
>
> On Sun, Jul 3, 2011 at 2:28 AM, Inbal Tuvi-Arad <[email protected]>
> wrote:****
>
> Hello to all,****
>
> I'm working with xyz files that contains several models of the same
> molecule. I'd like to be able to present the symmetry elements of all models
> so that navigation between them will keep the symmetry elements. "Draw
> pointgroup" only works for the current model. Is there a command that draws
> the same symmetry elements for all models?****
>
> ****
>
> Sincerely,****
>
> Inbal****
>
> ****
>
>
>
> ------------------------------------------------------------------------------
> All of the data generated in your IT infrastructure is seriously valuable.
> Why? It contains a definitive record of application performance, security
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> _______________________________________________
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>
>
>
>
> --
> Robert M. Hanson
> Professor of Chemistry
> St. Olaf College
> 1520 St. Olaf Ave.
> Northfield, MN 55057
> http://www.stolaf.edu/people/hansonr
> phone: 507-786-3107
>
>
> If nature does not answer first what we want,
> it is better to take what answer we get.
>
> -- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900****
>
>
>
> ------------------------------------------------------------------------------
> All of the data generated in your IT infrastructure is seriously valuable.
> Why? It contains a definitive record of application performance, security
> threats, fraudulent activity, and more. Splunk takes this data and makes
> sense of it. IT sense. And common sense.
> http://p.sf.net/sfu/splunk-d2d-c2
> _______________________________________________
> Jmol-users mailing list
> [email protected]
> https://lists.sourceforge.net/lists/listinfo/jmol-users****
>
>
>
>
> --
> Robert M. Hanson
> Professor of Chemistry
> St. Olaf College
> 1520 St. Olaf Ave.
> Northfield, MN 55057
> http://www.stolaf.edu/people/hansonr
> phone: 507-786-3107
>
>
> If nature does not answer first what we want,
> it is better to take what answer we get.
>
> -- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900****
>
>
> ------------------------------------------------------------------------------
> All of the data generated in your IT infrastructure is seriously valuable.
> Why? It contains a definitive record of application performance, security
> threats, fraudulent activity, and more. Splunk takes this data and makes
> sense of it. IT sense. And common sense.
> http://p.sf.net/sfu/splunk-d2d-c2
> _______________________________________________
> Jmol-users mailing list
> [email protected]
> https://lists.sourceforge.net/lists/listinfo/jmol-users
>
>
--
Robert M. Hanson
Professor of Chemistry
St. Olaf College
1520 St. Olaf Ave.
Northfield, MN 55057
http://www.stolaf.edu/people/hansonr
phone: 507-786-3107
If nature does not answer first what we want,
it is better to take what answer we get.
-- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900
------------------------------------------------------------------------------
All of the data generated in your IT infrastructure is seriously valuable.
Why? It contains a definitive record of application performance, security
threats, fraudulent activity, and more. Splunk takes this data and makes
sense of it. IT sense. And common sense.
http://p.sf.net/sfu/splunk-d2d-c2
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