Re: Z-Matrix into Cartesian Coordinates



 In article  <7C37343220208289 : at : UMAECS>
 Katrina Werpetinski <WERPETIN : at : ecs.umass.edu> writes:
 >Does anyone have a (preferrably fortran) algorithm for
 >converting a Z-matrix (ie bond length, angle, and
 >dihedral angle of a set of four atoms) into cartesian
 >coordinates?
 Fortran programs for such transformation are published in:
 H. Essen On the General Transformation from Molecular Geometric Parameters to
 Cartesian Coordinates, J.Comp.Chem. 1983, 4, 2, 136-141
 J.E.Nordlander et al. ATCOOR: A Program for Calculation and Utilization of
 Molecular Atomic Coordinates from Bond Parameters, Comp.Chem. 1985,9,3,209-235
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