VMD-L Mailing List

From: Axel Kohlmeyer (akohlmey_at_cmm.chem.upenn.edu)
Date: Wed Jun 07 2006 - 23:24:40 CDT

On Wed, 7 Jun 2006, Brian Kidd wrote:

BK> Hello,

hi brian,

BK> I was wondering if there is a way to change the color of two atoms in a
BK> protein during a trajectory based on their distance? For example, I'd

there are actually multiple ways of achieving this.
most useful is probably to pre-compute the value you are
interested in an store it in the corresponding user field
of the atom and then use the User color scheme.
please have a look at:
http://www.theochem.ruhr-uni-bochum.de/~axel.kohlmeyer/cpmd-vmd/part3.html#chap5_sect3
for a worked out example.
perhaps any of the surrounding examples would be a
viable alternative.

regards,
    axel.

BK> like to visualize when two atoms - or any two selections for that
BK> matter - get within a certain distance of each other during a protein.
BK> I'm not exactly sure how to embed a case statement into the
BK> visualization of a trajectory such that the colorID changes. Any help
BK> is greatly appreciated.
BK>
BK> -Brian
BK> 

-- 
=======================================================================
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.