From: Germain S. V. <ger...@un...> - 2010-11-25 10:36:37
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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/ |