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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). |