Bode, B. M. and Gordon, M. S. J. Mol. Graphics
Mod., 16, 1998, 133-138.
- A modern Macintosh program for plotting 3-D molecular
structures and normal modes (vibrations). Modern means:
- Mouse driven interface for real-time rotation.
- copy and paste functionality for interfacing to other
programs such as word processors or other graphics programs
- simple printing to color or black and white printers
- multiple files open at once.
- It reads standard MolPlt (.mol) files punched out by GAMESS
and read by the X-windows program MolPlt. You may now read in any
GAMESS log or IRC file directly to create animations of IRC's,
DRC's, and optimizations. You may also import a $VEC group from
any file (such as a GAMESS .DAT file). Also some PDB file support
and MDL MolFile support is included.
- You may also paste GAMESS and Gaussian-92 style cartesian
coordinates directly into the program.
- Animation of Normal Modes.
- Animation of IRC's, and DRC's including orbitals.
- Simple Energy Plots (including geometrical parameters).
- Simple frequency line graph of frequency versus infrared
- Append multiple GAMESS files together to create a single
- Build molecules from scratch using cartesian coordinates
- 2D orbital, total electron density contour map display
- 3D molecular orbital, total electron density display
- density difference maps
- Molecular Electrostatic Potential Maps
- Simple GAMESS input builder
- 24 bit color display with lighting and shading using
QuickDraw 3D under MacOS 9 or OpenGL under MacOS X
Below are a few samples created directly with
Simple Molecule Display (with and without a normal mode):
Quinone with a total electron density surface colorized with the
molecular electrostatic potential value.
The latest version (5.6.2) for
MacOS X (Universal binary for 10.2.8 and later on PowerPC or Intel).
5.6.2 for MacOS X
MacMolPlt for MacOS 7-9.
5.6 for any PPC based Macintosh, Mac OS 7-9
For 68K processors version 5.3.4 is available:
5.3.4 for 680xx based Macintosh's
You will need Stuffit Expander for the MacOS 7-9 versions.
These files contain the current version of MacMolPlt and the manual
(in html format).
MacMolPlt is free, but if you use it I request
that you send me a note
(E-Mail or Snail mail) telling me what you like and what you don't
like (What's not to like ;-).
If you use MacMolPlt for published work an appropriate reference is:
Bode, B. M. and Gordon, M. S. J. Mol. Graphics Mod., 16,
GAMESS home page.
Gordon Group home page.