MacMolPlt

by Brett Bode

Key Features:

• Input using:
  • MolPlt file format punched out by GAMESS
  • by pasting in Cartesian coordinates from any GAMESS or Gaussian log file
  • any GAMESS log or irc file
  • Xmol style XYZ file
  • Protein Data Bank (pdb) file
  • 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
• Macintosh interface
• 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
• QuickDraw3D support for high-quality 3D rendering
• Publication quality output (color or black and white) via direct printing or Copy and Paste into another Application.

---

Online Manual Sections:

General Description - General overview of capabilities.

Files - What formats does MacMolPlt read and write?

Surfaces - Orbitals, Total Electron Densities and more!

Windows - What do all those windows do anyway?

Version History - What has changed since the last version?

---

Distribution:

MacMolPlt is PostCardWare for the Macintosh. That means it is free, but if you use it you should let me know by sending me an E-mail or a postcard to: (Also send all comments and bug reports here)

	Brett Bode
	Department of Chemistry
	Iowa State University
	Ames, Iowa 50011



 
 
	or via E-mail  brett@si.fi.ameslab.gov

NOTE: I am asking only to get an idea of who uses my program and what they like about it. I won't pester you with ads or anything like that, thus you have absolutely no excuse for not dropping me a line . . .

If you like the program send me comments about what you like and what you would like to see in future versions. Also indicate if you would like to be notified of new versions via email. If you don't like the program then chuck it, just remember the price was right!

Requirements:

68020 or higher processor (PPC native version is available)

PPC required for QuickDraw 3D (Apple's requirement, not mine!)

QuickDraw 3D version 1.5 or later if you wish to use QuickDraw 3D

QuickTime must be installed in order to export a JPEG image or QuickTime movie (Note that QuickDraw 3D is included as part of QuickTime 3.0 and later)

System 7.0 or higher

MacMolplt (both 68K and PPC native versions) is available by anonymous FTP from:

www.msg.ameslab.gov

or via the WWW at URL: (Probably the easiest and best way to get it)

http://www.msg.ameslab.gov/GAMESS/Graphics/MacMolPlt.html

Obviously both ways access the same server and the same files.