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659. PACK: Packing Polypeptide Chains by Energy
Minimization
by K. D. Gibson and H. A. Scheraga, Baker Laboratory of Chemistry, Cornell University, Ithaca, New York 14853 These programs minimize the energy of structures made up of multiple strands of polypeptides or other molecules. The energy is regarded as a function of rigid body variables and internal dihedral angles, and is minimized with respect to those variables. The variables may all be independent, or they may be related by regularity constraints; the latter may take the form of affine symmetry relations or rotational symmetry. A detailed description of the programs and options may be found in the documentation. Lines of Code: 15300 FORTRAN 77 (IBM ES9000 and IBM RS/6000) |