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QCMP126. VISION3: Surface and Contour Plot Generating
Software for Double Dihedral Angle Driver Calculations
of Molecular Mechanics (MM2/87)
by Jay Brown, Chemistry Department, University of Vermont, Burlington, Vermont 05405 VISION3 is an IBM-PC (or compatible) graphics package that can generate contour plots and 3D surface diagrams using heat of formation data that was calculated by Molecular Mechanics MM2 (87) as a function of two dihedral angles. Once an MM2 double dihedral angle driver run is complete, the resulting energy file can be sent to a personal computer using communication software. The VISION3 package requires a PC with at least 640K of memory, one floppy disk drive, VGA graphics, and a plotter that understands HPGL (Hewlett Packard Graphics Language.) Lines of Code: 345 Turbo BASIC v. 1.1 (or compatible) |