MacMolPlt
Key Details of MacMolPlt
- Create computational chemistry visualizations.
- Last updated on 5/29/2009
- There have been 8 updates
- Virus scan status:
Clean (it's extremely likely that this software program is clean)
Developer's Description
- Input using:
- MolPlt file format punched out by GAMESS
- by pasting in Cartesian coordinates from any GAMESS or Gaussian log file
- any GAMESS input, log or irc file
- Xmol style XYZ file
- MolDen format files
- Protein Data Bank (pdb) file
- Chemical Markup Language (CML) files
- Build graphically with an interactive molecule editor
- Build by hand using cartesian or Z-Matrix style internal coordinates
- 3D display of structure and Normal mode
- Animation of Normal modes.
- 3D real-time rotation and translation under mouse control
- Calculation of any Z-matrix parameter
- Visually measure/display distances, angles and dihedrals.
- Automated creation of Linear Least Motion (LLM) paths
- 2D and 3D calculation and display of:
- Molecular orbitals (AO's, MO's, or LMO's)
- Total Electron Density
- Density differences
- Molecular Electrostatic Potentials (MEPMaps)
- Basic input file generator for GAMESS
- OpenGL used for high-quality 3D rendering
- Support for molecular symmetry
- Generate symmetry dependant atoms
- Determine symmetry unique atoms
- Automatically determine the list of supported point groups for a set of coordinates.
- Rotate coordinates into the proper principle orientation
- Display symmetry operators for many point groups
- Publication quality output (color or black and white) via direct printing or Copy and Paste into another Application.
- Output in a variety of forms including Windows bitmap, JPEG, PNG, CML, XMol XYZ, MDL molfile, POV-Ray, Flash Movies and QuickTime movies.
