Dear all,
I use the following command to auto-complete molecular fragments
that extent to the outer side of the unit cell:
load "" {444 666 1};display within(molecule, cell=555);
What I would like to do now is to create a supercell and then
use this supercell for the auto-completion.
I tried combinations like:
load "" {1 1 1} supercell {3 3 1};display{666 444 1};display
within(molecule, cell=555);
But that failed..
Is this possible? Does anyone have a suggestion?
Thanks
Michael
--
Dr. Michael F. Peintinger
http://www.peintinger.com
MPI für Chemische Energiekonversion
Abteilung für Molekulare Theorie und Spektroskopie
Stiftstrasse 34 - 36
D-45470 Mülheim an der Ruhr
http://cec.mpg.de
Tel.: +49 (0)208 306 - 3584
Fax : +49 (0)208 306 - 3951
------------------------------------------------------------------------------
Want fast and easy access to all the code in your enterprise? Index and
search up to 200,000 lines of code with a free copy of Black Duck
Code Sight - the same software that powers the world's largest code
search on Ohloh, the Black Duck Open Hub! Try it now.
http://p.sf.net/sfu/bds
_______________________________________________
Jmol-users mailing list
[email protected]
https://lists.sourceforge.net/lists/listinfo/jmol-users
