just select the models you want to write.
select 1.1
write coord XYZ "model1.xyz"
select 1.2
write coord XYZ "model2.xyz"
etc.
Sebastian Schwieger wrote:
>Dear jmol team,
>
>I was trying to write xyz coordinates of a specific frame from an
>optimization done with gaussian.
>Using "write coords XYZ Filename" I end up with an xyz file that
>contains all optimization steps in one structure (14820 atoms,
>corresponding to 380 different structures in the optimization). Can I
>specify the step number of the optimization that I want to export to
>xyz? Are there other ways to extract the coordinates?
>
>Thanks for your help,
>
>Sebastian
>
>
>-
>This SF.net email is sponsored by DB2 Express
>Download DB2 Express C - the FREE version of DB2 express and take
>control of your XML. No limits. Just data. Click to get it now.
>http://sourceforge.net/powerbar/db2/
>
>
>
>___
>Jmol-users mailing list
>Jmol-users@lists.sourceforge.net
>https://lists.sourceforge.net/lists/listinfo/jmol-users
>
>
--
Robert M. Hanson
Professor of Chemistry
St. Olaf College
Northfield, MN
http://www.stolaf.edu/people/hansonr
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
-
This SF.net email is sponsored by DB2 Express
Download DB2 Express C - the FREE version of DB2 express and take
control of your XML. No limits. Just data. Click to get it now.
http://sourceforge.net/powerbar/db2/
___
Jmol-users mailing list
Jmol-users@lists.sourceforge.net
https://lists.sourceforge.net/lists/listinfo/jmol-users
