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Main / Catalog / Section09

169. CARCOR: Calculates Cartesian Coordinates for All Atoms in a Molecule

by A. Crackett, Physical Chemistry Laboratory, Oxford University, Oxford, England

This program calculates Cartesian coordinates for all atoms in a molecule, given bond lengths, bond angles and a twist angle to specify the conformation.

FORTRAN IV (CDC 3600/modified from KDF9 FORTRAN) Lines of Code: 134 Recommended Citation: A. Crackett, QCPE 11, 169 (1970).

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