[modeller_usage] How to constrain internal coordinates for identical residues

["James T Metz" <>]

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



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