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QCPE
THIS INFORMATION IS OBSOLETE AND IS PROVIDED ONLY FOR ITS HISTORICAL VALUE
Main / Catalog / Section06
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149. CARTCORD: Cartesian Coordinates for Lattice Atoms in a
Crystal
by Marcel Kopp, Crystallography Laboratory, University
of Pittsburgh and Mellon Institute, Pittsburgh,
Pennsylvania 15213
Given the few crystallographic parameters of a lattice,
one often needs the coordinates of many lattice atoms
for further processing, such as lattice summations or
determination of active-site orientations.This
program can provide these. The orthonormal Cartesian
system in which one wants the coordinates may be quite
arbitrarily positioned with respect to the
crystallographic axes. One may want a picture of the
structure or the distances and directions between
selected atoms, the angles between them, and the
perpendiculars and binormals to them.Program
CARTCORD, together with its subroutines EULER,
HISTOGRM, and DISTAXES, can provide this information.
FORTRAN 63 (CDC 1604/3600)
Lines of Code: 1458
Recommended Citation: M. Kopp, QCPE 11, 149 (1969).
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