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Extract MOL2 in python #27

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donadef opened this issue Jul 3, 2018 · 0 comments
Open

Extract MOL2 in python #27

donadef opened this issue Jul 3, 2018 · 0 comments
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donadef commented Jul 3, 2018

Eventually we need to extract a list of molecules from a BIG mol2 file. Currently we do it with "ChemFlow_extract_mol2.f90" but since it's a Fortran (arrg) code, it needs do be compiled.

Modernize this into a beautiful python script.
@donadef donadef self-assigned this Jul 3, 2018
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