MacMolPlt 7.1

MacMolPlt is a modern graphics program for plotting 3-D molecular structures and normal modes (vibrations).
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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.

Main features:

  • 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.

last updated on:
April 8th, 2008, 12:26 GMT
license type:
GPL (GNU General Public License) 
developed by:
Brett Bode
ROOT \ Science and Engineering \ Bioinformatics
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