VMD-L Mailing List

From: John Stone (johns_at_ks.uiuc.edu)
Date: Thu Mar 06 2003 - 14:38:49 CST

Hi Sichun,
  'writepdb' is an option to the atomselect command, i.e.:
  mol pdbload 1e79 (load ATP structure from PDB...)

  set sel [atomselect top "all"]
  $sel writepdb my1e79.pdb
  $sel delete

The docs list the various atomselect subcommands:
  http://www.ks.uiuc.edu/Research/vmd/vmd-1.8/ug/node109.html

Thanks,
  John Stone
  vmd_at_ks.uiuc.edu
 

On Thu, Mar 06, 2003 at 12:33:17PM -0800, Sichun Yang wrote:
> Hi John,
>
> Where is 'writepdb'? I can't find it.
>
> Thanks,
> Sichun
>
> > avoid the problem you're having there. From there, you can
> > use the 'writepdb' option of atomselect to write the structure
> > that you changed to a new file so that you can load that one
> > from then on. If this isn't appropriate to your needs, there
> > are other things one can do to get what you want.
> > 

-- 
NIH Resource for Macromolecular Modeling and Bioinformatics
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