VMD-L Mailing List

From: Axel Kohlmeyer (akohlmey_at_cmm.chem.upenn.edu)
Date: Sun Jul 26 2009 - 18:47:33 CDT

On Sun, 2009-07-26 at 18:24 -0500, Jehanzeb Hameed wrote:
> Hello,
>
> I am trying to strip out water from pdb files downloaded from Protein
> Data Bank (rcsb.org). Can someone please tell me how to do this in
> vmd?

load the file into VMD and then use an atom selection of
"not water" or "not resname XXX" (with XXX chosen according
to the name in your file) when writing out the file again.

cheers,
   axel.

>
> Thanks,
> -Jehanzeb 

-- 
=======================================================================
Axel Kohlmeyer   akohlmey_at_cmm.chem.upenn.edu   http://www.cmm.upenn.edu
   Center for Molecular Modeling   --   University of Pennsylvania
Department of Chemistry, 231 S.34th Street, Philadelphia, PA 19104-6323
tel: 1-215-898-1582,  fax: 1-215-573-6233,  office-tel: 1-215-898-5425
=======================================================================
If you make something idiot-proof, the universe creates a better idiot.