VMD-L Mailing List

From: Axel Kohlmeyer (akohlmey_at_cmm.chem.upenn.edu)
Date: Thu Mar 01 2007 - 13:45:36 CST

On Thu, 1 Mar 2007, Epiphaniou, Nicholas wrote:

NE> Dear all,
NE>

NE> I am just wondering if VMD has the capability of colouring atoms
NE> according to the centro-symmetric parameter? Has anyone visualise
NE> FCC metals according to this parameter?

VMD has the capability to color atoms by any scalar parameter.
provided you can compute it and store it in the 'user' field
and then use User colorization.

http://www.theochem.rub.de/~axel.kohlmeyer/cpmd-vmd/part3.html#chap5_sect3
has an example where the aberration from spherical shape of two
buckyballs during an MD is colored.

cheers,
   axel.
NE>
NE> Best Regards,
NE> Nicholas Epiphaniou
NE>
NE> MPhill/PhD student
NE>
NE> Aerospace Sciences
NE> Fluid Mechanics and Computational Science Group
NE> Cranfield University
NE> School of Engineering
NE> Cranfield,Bedfordshire MK43 0AL
NE> UK
NE> Email: n.epiphaniou_at_cranfield.ac.uk <mailto:n.epiphaniou_at_cranfield.ac.uk>
NE>
NE>
NE>
NE>
NE> 

-- 
=======================================================================
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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If you make something idiot-proof, the universe creates a better idiot.