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QCMP066. PLTSTK:Program for Plotting Molecular
Structures
by Stephen D. Williams, Department of
Chemistry, Appalachian State University,
Boone, North Carolina 28608
PLTSTK is a program designed for the computational chemist who wishes to check the results of some sort of structure calculation. The program accepts atomic Cartesian coordinates and, optionally, bond connectivity then draws the corresponding molecular structure on the computer's screen. The structure may be rotated discretely or (pseudo) continuously about any Cartesian axis, or it may be redrawn as two stereoscopic pairs. This is useful for checking results and for finding errors in input files (at least for MOPAC, AMPAC and MNDO) by plotting initial structures. The program requires an IBM-PC, XT or AT, at least one floppy drive, a math coprocessor, approximately 256K RAM, an EGA card with at least 128K and an EGA monitor, and appropriate VDI drivers. The program has only been tested with the drivers included in the IBM Graphics Development Toolkit, but it may also work with other VDI drivers. The program is written in FORTRAN and compiled with the IBM Professional FORTRAN compiler; the program uses many calls to the graphics libraries for this compiler which was included in the graphics development toolkit. VDI drivers are not distributed with this program. You must supply your own copies of these. You will need three VDI files: VDI.SYS (the general driver), VDIDY010.SYS (the 350 x 640 16-color EGA driver), and INIT_VDI.EXE. These files can be loaded at boot time. IBM Professional FORTRAN Lines of Code: 1034 |