Modeller Users,
Sorry if this is a FAQ, but ...
Is there a simple command or set of TOP keywords that will preserve internal coordinates (especially dihedral angles) when an amino acid in my structure file and the amino acid in my alignment file are identical? In other words, I would like to constrain (fix) internal coordinates when there is no change of amino acids when building homology models.
Please also comment if for some reason this is not a good idea.
Regards, Jim Metz
James T. Metz, Ph.D. Research Investigator Chemist
GPRD R46Y AP10-2 Abbott Laboratories 100 Abbott Park Road Abbott Park, IL 60064-6100 U.S.A.
Office (847) 936 - 0441 FAX (847) 935 - 0548
james.metz@abbott.com
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