[Pw_forum] About xcrysden display
Axel Kohlmeyer
akohlmey at cmm.chem.upenn.edu
Mon May 28 17:28:55 CEST 2007
On Mon, 28 May 2007, lan haiping wrote:
HP> Dear All :
HP>
HP> I am sorry for sending this problem to pw forum , since i thought there
HP> should be a few experienced people here.
HP> I do want to display several xsf maps in the same crystal structure with
HP> XCRYSDEN, but i donot find any solution.
HP> I just find script of multiscript for displaying several results
HP> successively, e.g. displaying results with the same setting parameters.
HP> Is there any way to display several xsf files in single screen ? If so,
HP> Would you please share the script with me ?
you could try VMD ( http://www.ks.uiuc.edu/Research/vmd ).
since it is primarily written for biomolecules, the support
for crystal structure specific features is limited, but it
can handle displaying multiple gridded (3-d) datasets at
the same time.
cheers,
axel.
HP>
HP> Regards,
HP> H.P
HP>
HP>
--
=======================================================================
Axel Kohlmeyer akohlmey at cmm.chem.upenn.edu http://www.cmm.upenn.edu
Center for Molecular Modeling -- University of Pennsylvania
Department of Chemistry, 231 S.34th Street, Philadelphia, PA 19104-6323
tel: 1-215-898-1582, fax: 1-215-573-6233, office-tel: 1-215-898-5425
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