|
|
QCPE
THIS INFORMATION IS OBSOLETE AND IS PROVIDED ONLY FOR ITS HISTORICAL VALUE
Main / Catalog / Section11
|
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
|
Computational Chemistry List --- QCPE Main --- About This Site
|