Modeller Users,
Does anyone know how to constrain internal coordinates, especially dihedral angles, only for residues which are identical between my X-ray template and my unknown sequence.
In other words, if I am building a lysine on top of a lysine, how can I get the internal coordinates to be exactly the same?
Is there a way to automate the generation of the constraints rather than having to do this for each and every template/unknown sequence pair?
Thanks in advance.
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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