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Wednesday, May 28, 2008

MacMolPlt freeware

MacMolPlt is:
  • 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 (like ChemDraw).
    • simple printing to color or black and white printers (publication quality).
    • 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.
  • 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 animation.
  • 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
  • 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 (.inp) builder
  • 3D color display with lighting and shading using OpenGL under MacOS X.

Below are a few samples created directly with MacMolPlt:
Simple Molecule Display with labels and displaying the bond angle:

Water with the C2v operators.

Quinone with a total electron density surface colorized with the molecular electrostatic potential value.


MacOS X:
MacMolPlt 7.2.1 for MacOS X 10.3 and later on PowerPC or Intel processors (Universal binary) ( 5.8M )
MacMolPlt 7.2.1 for MacOS X 10.4 and later on PowerPC or Intel processors (Universal binary) supporting quad-buffered OpenGL ( 6.9M )
The only functional difference between these two binaries is that the latter supports hardware stereo display, but does not run on OS X 10.3.
Here is a source distribution primarily targeted at Linux: wxmacmolplt 7.2.1 ( 1.5M)
For further information on building and prebuilt binaries please refer to our Linux support page.
  • Most users should use this Windows installer (.msi) package MacMolPlt 7.2.1 for Windows ( 4.7M)
    You should be able to download it and double click it to install MacMolPlt.
  • If you can not run an installer on your system here is a plain zip archive. If the wxMacMolPlt.exe file fails to launch with a message saying the configuration is invalid you need to install the VS8 runtime libraries. Just run the file linked here.
  • The Windows build should support quad-buffered OpenGL.

These files contain the current version of MacMolPlt and the manual (in html format).

Check here for a list of known issues.

Click to subscribe to an email announcement list for new versions of MacMolPlt. Note this list is moderated and will only be used for announcing new releases.

Have a question or comment? Just include it in the comment section of the survey form. Make sure to include your email address if you want a reply.

If you need a version of MacMolPlt for MacOS 9 or MacOS X 10.2 and earlier you can grab the original MacMolPlt.


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, 1998, 133-138.

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