[gmx-users] missing residues

[Raymond C. Fort Jr.]

At 06:25 PM 4/6/2006 +0000, you wrote:

>Hi friends!
>Part of a molecule that I am trying to simulate is not 
>crystallographically resolved. To be exact about 17 amino acids from 
>136-148. Please suggest suggestions on how? I go about building these 
>missing residues and integrating with the crystallographically resolved 
>structure such that I can proceed with MD simulations.
>Thanks
>Jayant

Swiss PDB viewer can do this, including optimizing the side chain positions.

http://us.expasy.org/spdbv/




>Jayasundar Jayant James
>Postdoctoral research fellow,
>Department of Veterinary and Comparative Anatomy, Pharmacology and 
>Physiology(VCAPP), Washington state university, Pullman 99164-6520, USA.
>http://www.chick.com/reading/tracts/0001/0001_01.asp
>
>
><http://adworks.rediff.com/cgi-bin/AdWorks/sigclick.cgi/www.rediff.com/signature-home.htm/1507191490@Middle5?PARTNER=3>f990e0db.jpg 
>
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Professor Ray Fort Jr.                  rcfort at maine.edu
Department of Chemistry         chemistry.umeche.maine.edu/fort.html
University of Maine                     Voice: (207)-581-1180
Orono, ME 04469                 FAX: (207)-581-1191

Computer modeling of organic and biomolecules; chemistry of lignin and 
cellulose        
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