VMD-L Mailing List
From: Arham Amouie (erham65t_at_yahoo.com)
Date: Thu Feb 13 2014 - 05:27:45 CST
Thanks. I don't know PBD format very well, but actually I guess it's too complicated for my need.
On Thu, 2/13/14, Jeffrey Potoff <jpotoffx_at_gmail.com> wrote:
Subject: Re: vmd-l: Simplest file format that includes atom color?
To: "Arham Amouie" <erham65t_at_yahoo.com>, "vmd-l_at_ks.uiuc.edu" <vmd-l_at_ks.uiuc.edu>
Date: Thursday, February 13, 2014, 8:16 AM
On 2/12/2014 2:28 PM,
written a MD code for EAM potentials.
number of atoms is of the order of 1
code saves the positions in xyz files
and I use VMD
for visualization. Now, I'm going to
output, so that each atom can have its
color. I used csv format of ParaView for
reason, but ParaView doesn't work
fast for me. What
is the easiest solution in VMD?
If you output as PDB, you can color based on atom
name. You can
also use the beta and occupancy fields for more options
to atom coloring.
Jeffrey J. Potoff jpotoff_at_wayne.edu
Associate Professor and Director of Early Engineering
Department of Chemical Engineering and Materials Science
Wayne State University 5050 Anthony Wayne
Detroit, MI 48202