CCL Home Page
Up Directory CCL QCMP094.html
QCPE

THIS INFORMATION IS OBSOLETE AND IS PROVIDED ONLY FOR ITS HISTORICAL VALUE

QCPE
Main / Catalog / Section11


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)



Computational Chemistry List --- QCPE Main --- About This Site
Modified: Fri Nov 20 02:29:35 2009 GMT
Page accessed 9 times since Tue Dec 23 04:03:48 2025 GMT