Re: adding ions

From: Michael Grabe (mgrabe_at_itsa.ucsf.edu)
Date: Mon Mar 22 2004 - 14:36:35 CST

if you use the solvate script it will do this in a smart way.

http://www.unav.es/organica/umm/manuales/solvate/docu_html/docu.html

-michael
On Monday, March 22, 2004, at 11:30 AM, Amarda Shehu wrote:

>
> Does anyone know of a script to add ions to a protein pdb file? I have
> scripts that hydrate the protein but do not have one to place ions
> around
> the protein while avoiding collisions (and frankly don't know how to go
> about it).
>
> Thank you,
> Amarda
>
> Computer Science Department,
> Rice University.
>
>
------------------------------------------------------------------------
--------------------------
Michael Grabe, Ph.D.
Post-doctoral Fellow
Howard Hughes Medical Institute
University of California, San Francisco
533 Parnassus Ave.
San Francisco, CA 94143
mgrabe_at_itsa.ucsf.edu
tel: ++ 415.476.6585
http://itsa.ucsf.edu/~mgrabe

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