About:
PyMOlyze is a graphical program for analyzing the results of quantum chemistry (DFT) calculations. The following analyses are available for user-defined molecular fragments: Mulliken Population Analysis (MPA), C-squared Population Analysis (SCPA), Overlap Population Analysis, and Mayer's Bond orders. Supported QM packages include Gaussian, ADF, GAMESS (US), GAMESS (UK), and PCGAMESS.

Author:
Adam Tenderholt [contact developer]

Rating:	reset 1 2 3 4 5 6 7 8 9 10
8.45/10.00 (1 vote)

Homepage:
http://pymolyze.sourceforge.net
Tar/GZ:
http://prdownloads.sourceforge.net/pymolyze/PyMOlyze-2.0.tar.gz?download
OS X package:
http://prdownloads.sourceforge.net/pymolyze/pymolyze-2.0-mac.zip?download

Trove categories: [change]

[Development Status]		5 - Production/Stable
[Environment]		MacOS X, Win32 (MS Windows), X11 Applications :: Qt
[Intended Audience]		Advanced End Users
[License]		OSI Approved :: GNU General Public License (GPL)
[Operating System]		OS Independent
[Programming Language]		Python
[Topic]		Scientific/Engineering :: Chemistry
[Translations]		English

Dependencies: [change]
No dependencies filed

 Branches

Branch	Version	Last release	License	URLs
Default	2.0	28-Jan-2007	GNU General Public License (GPL)