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.
