GitHub - gmagoon/MoleCoor: A tool for checking molecular conformational equivalence within a user-specified tolerance

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A tool for checking molecular conformational equivalence within a user-specified tolerance

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Name		Name	Last commit message	Last commit date
Latest commit History 120 Commits
JP10A.mol		JP10A.mol
JP10B.mol		JP10B.mol
JP10stochFixedStruct.out		JP10stochFixedStruct.out
MolecularCoordinates.py		MolecularCoordinates.py
README.txt		README.txt
c60_b.mol		c60_b.mol
c60_c.mol		c60_c.mol
conftest.py		conftest.py

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MolecularCoordinates.py: a tool for checking molecular conformational equivalence within a user-specified tolerance
conftest.py: unit tests associated with MolecularCoordinates.py