- A modern graphics program for plotting 3-D molecular
structures and normal modes (vibrations). Modern means:
- Mouse driven interface for real-time rotation and translation.
- copy and paste functionality for interfacing to other
programs such as word processors or other graphics programs
- 3D color display with lighting and shading using OpenGL.
- simple printing to color or black and white printers (publication quality).
- Output high quality images in a variety of both still (jpeg, gif, etc) and animated (gif, flash, etc) formats.
- multiple files open at once.
- It reads a variety of file formats including any GAMESS input, 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). In addition xMol XYZ files, MolDen
format files and
Chemical Markup Language (CML) files are supported. Also some PDB file
support and MDL MolFile support is included.
- Fast (multi-threaded) on the fly computation of orbitals, densities and molecular electrostatic potentials for display as 2D contour maps or 3D isosurfaces!
- 2D Contour maps computed live with rotations or animations!
- Compute orbitals across an animation.
- Molecular Electrostatic Potentials available either alone or color mapped to a total electron density isosurface.
- Ability to create density difference maps, or abitrary combinations of densities.
- Molecular point group symmetry is supported.
- 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
or Raman intensity.
- Append multiple GAMESS files together to create a single
- Build or modify molecules using the graphical molecule builder.
- Quickly build realistic 3D structures.
- rotate selected atoms about bonds, change bond or dihedral angles.
- translate and rotate selected subgroups.
- Build molecules from scratch using cartesian or internal coordinates
- GAMESS input file (.inp) builder
- Both simple to use and many advanced GAMESS features are available.
- Automatically include optimized orbitals from one computation into your next run!
- Generate input for GAMESS Effective Fragment Potential computations.
- Generate input for GAMESS Fragment Molecular Orbital computations.
Where does the wxMacMolPlt name originate?
- The name is a rather un-original combination of the past evolution of the
program. The inspiration was the simple X-Windows MolPlt program (though no
code was reused) that was re-invented as the MacMolPlt program in 1994 (so
named due to it's Mac-only implementation). MacMolPlt evolved over many years
from a very simple interactive 2D program on very underpowered Macs to a full
3D program with many computational capabilities. In 2006 the MacMolPlt code
was ported to the wxWidgets toolkit enabling cross-platform builds on Macs,
Windows and Linux and wx was added to the name. Since then a graphical
molecule builder has also been added along with many other improvements.