> 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.
The 1 second delay is intentional.
> So the
> animation doesn't look like a vibration.
> So my first question is: can this delay be avoided?
Yes.
When you set the animation mode you can specify a delay of 0 at the
beginning and the end of the cycle.
animation mode palindrome 0 0
OR
animation mode loop 0 0
... whichever is appropriate
> 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?
Yes, this should work today:
model {1, 2, 3, etc.}
vibration on
vibration scale 2.0
vector scale 4.0
> Will this feature be extended to MOPAC output?
I suppose so ... but there are so many file formats that I have forgotten
how to distinguish between them :-)
Miguel
-------------------------------------------------------
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_idU88&alloc_id065&op=click
_______________________________________________
Jmol-users mailing list
[EMAIL PROTECTED]
https://lists.sourceforge.net/lists/listinfo/jmol-users
