Incorporate Chris's molecule stuff #1
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xyz file into graph of a molecule. Also created a utilities module for generic useful functions and a wrapper to create a quiet pymol instance.
Understands XYZ and PDB files. Has been tested with it's own unit tester.
as a networkx graph. Understands PDB and XYZ files using the pymol interface, but could easily be modified to add other files that pymol understands. tested and passed its own test class also.
several new classes including parser, analyser, molecularsystem. Incorporated the protein class as a sub class in the molecule file. added a testing system which tests the pymol parser and ensures that the system basically works.
khs26
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Nov 27, 2014
Incorporate Chris's molecule stuff
khs26
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Dec 3, 2014
Changes from Oct 7th onwards in pele-python/pele and miscellaneous fixes from PyCharm
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