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QCPE
THIS INFORMATION IS OBSOLETE AND IS PROVIDED ONLY FOR ITS HISTORICAL VALUE
Main / Catalog / Section11
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QCMP094. MOLYROO: An Interactive Molecular Drawing
Program
by Clarke W. Early, Department of Chemistry,
University of Missouri-Kansas City, Kansas
City, Missouri 64110
MOLYROO is an interactive molecular drawing
program for IBM-PC and compatible computers
running under DOS. MOLYROO reads data files
containing atomic positions in either
fractional or Cartesian coordinates and then
draws ball-and-stick representations of the
molecule on the graphics screen. The user
has the ability to orient the molecule on the
screen, add and delete atoms, add and delete
bonds, calculate bond distances and angles,
view multiple molecules simultaneously and
add symmetry-generated atoms and bonds to the
stucture.A text file of Cartesian
coordinates corresponding to the current
orientation of the molecule on the display
can also be generated. A Z-matrix datafile
can be created formatted for use as input to
either the AMPAC/MOPAC or Gaussian programs.
Plotting is limited to creation of a file
contining Adobe Postscript commands.
To use this system, one of the following
graphics cards must be available on the
computer: CGA, EGA, MCGA, VGA or Hercules.
Lines of Code: 7076
Microsoft C (v. 6.0) and Microsoft
Macroassembler (v. 5.1)
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