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QCPE

THIS INFORMATION IS OBSOLETE AND IS PROVIDED ONLY FOR ITS HISTORICAL VALUE

QCPE
Main / Catalog / Section05


397. RING: Closing a Cyclic Structure Exactly

by Jerome R. McQuie, Department of Chemistry, Cornell University, Ithaca, New York 14853

This program closes exactly a cyclic ring structure. All of the bond angles and lengths and all but six adjacent dihedral angles are specified. The program calculates the values of the six dependent angles to close the ring exactly.

ANSI FORTRAN 77 (PRIME 350) Lines of Code: 500 Recommended Citation: J. R. McQuie, QCPE 13, 397 (1981).


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