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