[gmx-users] missing residues
Raymond C. Fort Jr.
rcfort at maine.edu
Thu Apr 6 21:13:03 CEST 2006
At 06:25 PM 4/6/2006 +0000, you wrote:
>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.
Swiss PDB viewer can do this, including optimizing the side chain positions.
>Jayasundar Jayant James
>Postdoctoral research fellow,
>Department of Veterinary and Comparative Anatomy, Pharmacology and
>Physiology(VCAPP), Washington state university, Pullman 99164-6520, USA.
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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
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