VMD-L Mailing List

From: John Stone (johns_at_ks.uiuc.edu)
Date: Fri Aug 12 2011 - 09:39:51 CDT

Do this:
  mol new myfile.psf waitfor all
  mol addfile myfile.pdb waitfor all
  set sel [atomselect top all]
  $sel writepdb newfile.pdb

Cheers,
  John Stone
  vmd_at_ks.uiuc.edu

On Fri, Aug 12, 2011 at 12:29:38PM +0300, matziast_at_med.uth.gr wrote:
> Hi,
> I would like to write a script for VMD, but I can't. I would like to:
> load a psf file and
> load data into molecule
> load a pdb file and
> save the coordinates in a new file.
> I used the command mol load psf myfile.psf pdb myfile.pdb
> writepdb myfile.pdb
> but the final file didn't have proper coordinates.
> If anyone can help me, I would appreciate it.
> Thank you in advance. 

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