[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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