THIS INFORMATION IS OBSOLETE AND IS PROVIDED ONLY FOR ITS HISTORICAL VALUE

by José M. Pérez-Jordáand Emilio San-Fabián, Departamento de Química Física, Facultad de Ciencias, Universidad de Alicante, Apartado 99, E-03080 Alicante, España

MOLGRATH draws ball-and-stick models of molecules in two modes: contour only or shaded surface. The symbol and a numeric label can be displayed on each atom. The user can rotate the molecule, center the reference- frame origin and the Z axis on selected atoms, enlarge a selected part of the screen, and remove the front part of a macromolecule to view its inner parts. The program obtains three-dimensional structures directly from the output files of certain programs which are widely used in molecular mechanics and quantum chemistry calculations (GAUSSIAN 80/86, MOPAC, MM2, SYBYL, POETA). The program is intended to be highly transportable by using a reduced number of nonstandard FORTRAN 77 subroutines.

This program requires the PLOT-10/IGL graphics package by Tektronix.

FORTRAN 77 Lines of Code: 3,190