A modern graphics program for plotting 3-D molecular structures and normal modes (vibrations)

Edit Package wxMacMolPlt

MacMolPlt is:

* A modern graphics program for plotting 3-D molecular structures and normal modes (vibrations). Modern means:
o Mouse driven interface for real-time rotation and translation.
o copy and paste functionality for interfacing to other programs such as word processors or other graphics programs (like ChemDraw).
o simple printing to color or black and white printers (publication quality).
o 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.
o Quickly build realistic 3D structures.
o rotate selected atoms about bonds, change bond or dihedral angles.
o 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.

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Source Files
Filename Size Changed
_service 0000000234 234 Bytes
_service:download_url:wxmacmolplt-7.4.2.tar.gz 0001860528 1.77 MB
wxMacMolPlot.spec 0000000707 707 Bytes
Latest Revision
Suman Manjunath's avatar Suman Manjunath (msuman) committed (revision 5)
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