VMD-L Mailing List

From: Axel Kohlmeyer (akohlmey_at_gmail.com)
Date: Tue Nov 17 2009 - 14:40:46 CST

On Tue, Nov 17, 2009 at 3:03 PM, Christine Horejs
<christine.horejs_at_gmail.com> wrote:
> Hello everyone,
> I have a question concerning the coloring method on VMD. I have the
> coordinates of my protein as a xyz-file and in the first column I have the
> names of the corresponding amino acids (e.g. ALA x y z). Is it possible to
> color the molecule by ResType or ResName? Unfortunately I could not find the
> solution so far! Thank you so much for your help!!!!

christine,
please note that the .xyz format expects the element name (or number)
in the first column.

you can copy the information over with a few vmd script commands.

set sel [atomselect top all]
$sel set resname [$sel get name]
$sel delete

cheers,
    axel.

> Cheers,
> Christine 

-- 
Dr. Axel Kohlmeyer    akohlmey_at_gmail.com
Institute for Computational Molecular Science
College of Science and Technology
Temple University, Philadelphia PA, USA.