From c9e1b94c0c8e659c1be2d870bcf60066b7d28c7b Mon Sep 17 00:00:00 2001 From: Lester Hedges Date: Tue, 13 Apr 2021 13:46:05 +0100 Subject: [PATCH] Allow hydrogens and heavy atoms to be interleaved. [ref #193] --- python/BioSimSpace/Align/_lomap/mcs.py | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/python/BioSimSpace/Align/_lomap/mcs.py b/python/BioSimSpace/Align/_lomap/mcs.py index ceb62aed8..1da206c9a 100644 --- a/python/BioSimSpace/Align/_lomap/mcs.py +++ b/python/BioSimSpace/Align/_lomap/mcs.py @@ -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)