Hens,

Miguel recently showed how XYZ files could be augmented to include force vectors. (I haven't tried this myself.) That is by far the most compact format one could use. For the format of the animation commmand, see:

http://www.stolaf.edu/people/hansonr/jmol/docs/#.animation

(Is http://www.stolaf.edu/people/hansonr/jmol/docs/examples/animation.htm working for people? Is this another case of 10pre16 not working?)

To see how a simple "Gaussian-like" output works, try the second set of data at:

http://www.stolaf.edu/people/hansonr/jmol/inline/

Bob


Hens Borkent wrote:

> Colleagues,
>
> To return to a familiar subject: visualization of vibrations.
> In Chime I used multipleXYZ  files, written out by MOLDEN for a
> particular vibration and as calculated by Gaussian, MOPAC, etc.
> In Jmol I can still animate these mXYZ file, however the animation
> doesn't run smoothly.
> After one cycle it waits for a second before it restarts. So the
> animation doesn't look like a vibration.
> So my first question is: can this delay be avoided?
> I know that people are working on reading and displaying vibrations
> directly from Gaussian output.
> Can I select -scriptwise- a particular one of the 3N-6 vibrations?
> Will this feature be extended to MOPAC output?
>
> Hens
>
>
> -------------------------------------------------------
> This SF.Net email is sponsored by:
> Sybase ASE Linux Express Edition - download now for FREE
> LinuxWorld Reader's Choice Award Winner for best database on Linux.
> http://ads.osdn.com/?ad_id=5588&alloc_id=12065&op=click
> _______________________________________________
> Jmol-users mailing list
> [EMAIL PROTECTED]
> https://lists.sourceforge.net/lists/listinfo/jmol-users

--

Robert M. Hanson, [EMAIL PROTECTED], 507-646-3107
Professor of Chemistry, St. Olaf College
1520 St. Olaf Ave., Northfield, MN 55057
mailto:[EMAIL PROTECTED]
http://www.stolaf.edu/people/hansonr

"Imagination is more important than knowledge."  - Albert Einstein


------------------------------------------------------- This SF.Net email is sponsored by: Sybase ASE Linux Express Edition - download now for FREE LinuxWorld Reader's Choice Award Winner for best database on Linux. http://ads.osdn.com/?ad_id=5588&alloc_id=12065&op=click _______________________________________________ Jmol-users mailing list [EMAIL PROTECTED] https://lists.sourceforge.net/lists/listinfo/jmol-users

Reply via email to