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ATCOOR: A program for calculation and utilization of molecular atomic coordinates from bond parameters
Journal article

ATCOOR: A program for calculation and utilization of molecular atomic coordinates from bond parameters

J Nordlander, AFIV Bond and M Bader
COMP. CHEM, Vol.9(3), pp.209-235
01/01/1985

Abstract

A FORTRAN program, ATCOOR, is reported which calculates Cartesian coordinates for the atoms in a molecule from a minimum set of bond parameters. Optional subroutines for coordinate transformations under various molecular reorientations and for the calculation of a set of molecular structural properties are also described.

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