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QCPE
THIS INFORMATION IS OBSOLETE AND IS PROVIDED ONLY FOR ITS HISTORICAL VALUE
Main / Catalog / Section11
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QCMP032. MINP: MM2 Input Assist Program
by Jenn-Huei Lii and N. L. Allinger,
Department of Chemistry, University of
Georgia, Athens, Georgia 30602
MINP is a modification of STR (QCPE 488) by
Ronald M. Jarret and Martin Saunders.
Starting from any atom and any numbering
system, using types and directions of
successive bonds to other atoms, the program
generates Cartesian coordinates for all atoms
in the molecule.
The program input is a little bit different
from that of STR but is basically similar.
The NEW features of MINP are:
1. There are on-line HELP menus for
different levels.
2. There are more complete input-error
detection and messages supported.
3. It allows assignment of any desired
numbering system and bond lengths.
4. It allows one to LIST,EDIT,DELETE
previous input.
5. It allows one to READ a file
containing compound name, chemical
formula and connectivity input (the
file can be created by any editor).
6. The program will check the
molecular structure and assign the
conjugatedsystem, ifany,
automatically (i.e., generate "TTT..."
card(s) for MM2 input).
7. The output file is directly
suitable for MM2(77), MM2(85) or MM3
molecular mechanics programs.
8. The program will create a backup
file CHKPNT.OUT which can be READ in
(see feature 5) and modified.
FORTRAN 77 (Microsoft FORTRAN)
Lines of Code: 1200
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