M E D I T
(version 1.0)
June 30, 1990
INTRODUCTION.
MEDIT is an interactive molecular editing and display program. The program
is designed for creating a MM3 data file via graphic input. It is written
in FORTRAN, and is designed for use with Tektronix 4014 terminal or its
emulators.
The MEDIT program is divided into six menus. They are main menu MEDIT and
sub-menus EDIT, DISPLAY, READ MOL, SAVE MOL and MINI MOL. The available
commands for each menu are listed bellow. The details of "What does the
command do ?" and "How to get it work ?" will be followed.
MEDIT main menu:
EDIT, DISPLAY, READ MOL, SAVE MOL, MINI MOL, SHELL, ERASE, DUMP and
QUIT commands.
EDIT sub-menu:
DRAW, DEL ATM/BND, MOVE IN, MOVE OUT, ADD H, ZOOM OUT, UPDATE, DRIVER,
ROTATE, MOVE MOL, ERASE, EXIT, PG DN/UP (atom list), ATOM REPLACEMENT,
VALENCE, CONN/PASTE, FUSED, GET MOL, PG DN/UP (fragment list) and
FRAGMENT SUBSTITUTION commands.
DISPLAY sub-menu:
STICK/BALL, SYMBOL, ATOM #, QUERY, ROTATE, STEREO, ZOOM IN, ZOOM OUT,
UPDATE, EXIT, AX, AY, AZ, XY, YZ and ZX commands.
READ MOL sub-menu:
MM2/MM3 FILE, GAUSSIAN FILE, SYBYL MOL FILE, PDB FILE, ALCHEMY FILE,
VAXMOL FILE, AMBER FILE and EXIT commands.
SAVE MOL sub-menu:
MM3 FILE, MM2 FILE, VAXMOL FILE, GAUSSIAN-Z FILE, GAUSSIAN-C FILE,
SYBYL(MOL) FILE, CRSTL FILE and EXIT commands.
MINI MOL sub-menu:
INIT CALC, RUN TIME, PARAMETER, OUTPUT, ATOM RES, ANGLE DR, RUN MM2,
RUN MM3 and EXIT commands.
For the detail of the particular command, please refer to the operating
instruction in the following pages of this manual. For user's convenience,
program provide a way to get a brief help from screen. To get on-line help,
click over the HELP command (at right-up corner of each menu) and then the
destinated command, or place the pointer over the destinated command and
type "H".
written by:
Dr. Jenn-Huei Lii (robert@europa.chem.uga.edu)
CCMSD
Dept. of Chemistry
University of Georgia
Athens, GA 30602
Tel: (706) 542-2044
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