VMD-L Mailing List

From: Ana Celia Araujo Vila Verde (avilaverde_at_engr.psu.edu)
Date: Tue Jan 30 2007 - 10:08:50 CST

I'm not sure I understand what you mean (for most NAMD and VMD users, the structure file is the psf file, which contains connectivity but not coordinates; the pdb is the coordinate file).

In any case, in the "molecule file browser" window you can choose to load only the first frame of a dcd (just choose " first 1" and "last 1")

Also, have a look at the information on the "mol new" command in the VMD manual. And, if you haven't yet done the VMD tutorial, you should definitely do it. It will save you time in the long run.

Ana

_________________________________
Ana Célia Araújo Vila Verde
Penn State University
Department of Chemical Engineering
Fenske Laboratory
University Park, PA 16802
USA
 
 
Phone: +(1) (814) 863-2879
Fax: +(1) (814) 865-7846
avilaverde_at_engr.psu.edu
http://www.che.psu.edu/Faculty/JMaranas/group/avv.html
http://www.gfct.fisica.uminho.pt/Members/acvv
_________________________________

-----Original Message-----
From: owner-vmd-l_at_ks.uiuc.edu [mailto:owner-vmd-l_at_ks.uiuc.edu] On Behalf Of Ran Friedman
Sent: Tuesday, January 30, 2007 7:12 AM
To: vmd-l_at_ks.uiuc.edu
Subject: vmd-l: Delete frames in a script

Dear VMD users/developers,

How can I delete frames from a trajectory in a script after these have been loaded? For example, if I want to load a .xtc or .dcd file, I should first upload a .gro, .pdb or .cor file and then the xtc or dcd. I want to get read of the first frame which corresponds with the structure file.

Thanks,
Ran. 

-- 
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Ran Friedman
Postdoctoral Fellow
Computational Structural Biology Group (A. Caflisch)
Department of Biochemistry
University of Zurich
Winterthurerstrasse 190
CH-8057 Zurich, Switzerland
Tel. +41-44-6355593
Email: r.friedman_at_bioc.unizh.ch
Skype: ran.friedman
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