THIS INFORMATION IS OBSOLETE AND IS PROVIDED ONLY FOR ITS HISTORICAL VALUE

by Philip Marsh, Department of Chemistry, University of Louisville, Louisville, Kentucky 40292

Program ZMAT is an interactive stereo graphics program that operates from a generalized coordinate system. The input to the program consists of bond lengths, bond angles, torsion angles and connectivity information. The input is from a disc file and is modified from the keyboard. The number of atoms can be modified from the keyboard, so that any atom can be added or deleted. In this manner, any molecule can be modified from the keyboard to produce any other molecule. Several molecules can be displayed at one time. The molecule can be rotated from the keyboard. The program produces CRT display of the molecule, having each atom labeled with the atom number and the atomic symbol. The program outputs a disc file containing plotter coordinates and pen instructions for a stereo view of the molecule. When the program exits, it writes a file containing the corrected parameters in the format of the input file. This file also has the rotational orientation.The Cartesian coordinates are also output. The program can be readily overlayed.

FORTRAN IV (PDP 11/34) Lines of Code: 1038