As of 2007-10-28 00:00:00 GMT, this project is no longer under active development.


PyMOlyze is a graphical program to analyze the results of quantum chemistry (HF/DFT) calculations. Features include various population analyses, fragment analysis, monitoring structures during an optimization, and a simple, but powerful, XYZ editor.


http://pymolyze.sourceforge.net





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2007-01-27

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