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Allow hydrogens and heavy atoms to be interleaved. [ref #193]
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lohedges committed Apr 13, 2021
1 parent e24384b commit c9e1b94
Showing 1 changed file with 2 additions and 2 deletions.
4 changes: 2 additions & 2 deletions python/BioSimSpace/Align/_lomap/mcs.py
Original file line number Diff line number Diff line change
Expand Up @@ -468,9 +468,9 @@ def sanity_check_on_molecule(mol):

# Local pointers to the passed molecules
self.moli = moli
sanity_check_on_molecule(self.moli)
#sanity_check_on_molecule(self.moli)
self.molj = molj
sanity_check_on_molecule(self.molj)
#sanity_check_on_molecule(self.molj)

# Sanitize input molecules
Chem.SanitizeMol(self.moli)
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