MacMolPlt Modern graphics program for plotting 3-D molecular structures and normal modes (vibrations)
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draw plot molecule draw molecule molecule plotter molecule animation

MacMolPlt Description

Modern graphics program for plotting 3-D molecular structures and normal modes (vibrations) MacMolPlt is a modern graphics program for plotting 3-D molecular structures and normal modes (vibrations). Modern means it is mouse driven interface for real-time rotation and translation, it has copy and paste functionality for interfacing to other programs such as word processors or other graphics programs (like ChemDraw), offers simple printing to color or black and white printers (publication quality) and can open multiple files at once.MacMolPlt reads a variety of file formats including any GAMESS input, IRC or log file directly to create animations of DRC's, IRC'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. Here are some key features of "MacMolPlt": · 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 Mac OS X. What's New in This Release: · Several enhancements have been made to the display code. Options have been added to the 3D Pane of the prefernces for smooth shading with and without shadows. · Added rudimentary support for Mopac files. · Added option to toggle visibility of ab initio, MM, and EFP atoms. · Improved support for Model Core Potentials. · Added a hook in the input builder for the new GAMESSQ program. · Improved the PDB file parser.

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