VMD-L Mailing List

From: John Stone (johns_at_ks.uiuc.edu)
Date: Mon Nov 10 2003 - 16:44:22 CST

Hi,
  There are already VMD commands for doing so, they are used in conjunction
with atom selections like this, and they should work with any trajectory
file format that contains unit cell information read into VMD:
  $sel get a
  $sel get b
  $sel get c
  $sel get alpha
  $sel get beta
  $sel get gamma

Let us know if you need more help with this.

Thanks,
  John Stone
  vmd_at_ks.uiuc.edu

On Mon, Nov 10, 2003 at 12:43:42PM -0800, Juan Alfredo Freites wrote:
> Hi John,
>
> Now that namd is able to save unit cell parameters in the DCD file, are
> you thinking on implementing a Tcl command to access this information in
> VMD?
>
> Thanks.
> --
> J. Alfredo Freites
> Department of Physics
> University of California, Irvine
> Irvine, CA 92697-4575
> (949) 824-9921
> 

-- 
NIH Resource for Macromolecular Modeling and Bioinformatics
Beckman Institute for Advanced Science and Technology
University of Illinois, 405 N. Mathews Ave, Urbana, IL 61801
Email: johns_at_ks.uiuc.edu                 Phone: 217-244-3349              
  WWW: http://www.ks.uiuc.edu/~johns/      Fax: 217-244-6078