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the contacts retrieved from get_intermolecular_contacts seem to differ from those retrieved using mdanalysis + scipy for pdb file 7so9:
get_intermolecular_contacts
7so9_target.pdb.zip
contacts_mda_7so9_target.txt
It seems that the mda list contains [('A', 84, 'B', 266), ('A', 84, 'B', 265)], while fccpy list contains [('A', 85, 'B', 49), ('A', 84, 'B', 48), ('A', 85, 'B', 48)].
The text was updated successfully, but these errors were encountered:
JoaoRodrigues
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the contacts retrieved from
get_intermolecular_contacts
seem to differ from those retrieved using mdanalysis + scipy for pdb file 7so9:7so9_target.pdb.zip
contacts_mda_7so9_target.txt
It seems that the mda list contains [('A', 84, 'B', 266), ('A', 84, 'B', 265)], while fccpy list contains [('A', 85, 'B', 49), ('A', 84, 'B', 48), ('A', 85, 'B', 48)].
The text was updated successfully, but these errors were encountered: