From chemistry-request@ccl.net Tue Nov  5 16:57:01 1991
Date: Tue, 5 Nov 91 16:21:56 -0500
From: Iosif Vaisman <vaisman@gibbs.oit.unc.edu>
To: chemistry@ccl.net
Subject: Re:  Z-Matrix into Cartesian Coordinates
Status: R


In article  <7C37343220208289@UMAECS>
Katrina Werpetinski <WERPETIN@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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