From: Brian Bennion (brian_at_youkai.llnl.gov)
Date: Mon Mar 22 2004 - 14:11:46 CST
Hello Amarda,
There is an autoionize script that is distributed as a plugin to VMD.
http://www.ks.uiuc.edu/Research/vmd/plugins/autoionize/new/
Brian
On Mon, 22 Mar 2004, 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.
>
*****************************************************************
**Brian Bennion, Ph.D. **
**Computational and Systems Biology Division **
**Biology and Biotechnology Research Program **
**Lawrence Livermore National Laboratory **
**P.O. Box 808, L-448 bennion1_at_llnl.gov **
**7000 East Avenue phone: (925) 422-5722 **
**Livermore, CA 94550 fax: (925) 424-6605 **
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