Hi all,
I would like to know if is it possible to see VASP crystal structure
directly in pymol ? And is it possible to draw cell edge of a crystal in
pymol ?
I can easily write a script to convert POSCAR and CONTCAR VASP files
into standard xyz file but I would like to know if is it a way to read
directly this file in pymol.
I found this link on the web :
http://pymol.sourcearchive.com/documentation/1.2r1/vaspchgcarplugin_8c-source.html
but I do not know how to use it in pymol. When I try to open a file
CONTCAR and POSCAR are not in the liste of available format. I have this
version of pymol
PyMOL(TM) Molecular Graphics System, Version 1.2r2.
Copyright (C) 2009 by DeLano Scientific LLC.
Thanks for your help
Germain
--
Maître de Conférence
Université de Pau et des pays de l'Adour
IPREM - ECP - CTR
ger...@un...
05 59 40 78 51
http://germain-salvato-vallverdu.blogspot.com/
|
