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Draw 2D, draw 3D: MOPAC 2- and 3-dimensional...
Journal article

Draw 2D, draw 3D: MOPAC 2- and 3-dimensional graphical output written using the PHIGS graphics standard

Abstract

Programs, written in graPHIGS, to display 2- and 3-dimensional contour plots of orbital density of molecular orbitals are described and included on disk. The 3D image is created by “stack plotting” 2-dimensional slices of the molecular orbital density. Features including zoom, xyz-rotation, writing pixel images to a file and superposition of stick plots of the molecule on the orbital contours.

Authors

Elmer A; Brook MA

Journal

Tetrahedron Computer Methodology, Vol. 2, No. 4, pp. 223–232

Publisher

Elsevier

Publication Date

1989

DOI

10.1016/0898-5529(89)90017-1

ISSN

0898-5529