Merge pull request #745 from choderalab/fix-oe-sdf

remove extra OEAddExplicitHydrogens
choderalab · Oct 26, 2020 · f640bf8 · f640bf8
2 parents d1bf2d4 + 8e8a193
commit f640bf8
Showing 1 changed file with 0 additions and 1 deletion.
diff --git a/perses/utils/openeye.py b/perses/utils/openeye.py
@@ -358,7 +358,6 @@ def createOEMolFromSDF(sdf_filename, index=0, add_hydrogens=True, allow_undefine
     oechem.OEAssignHybridization(molecule)
     if add_hydrogens:
         oechem.OEAddExplicitHydrogens(molecule)
-    oechem.OEAddExplicitHydrogens(molecule)
     oechem.OEPerceiveChiral(molecule)
 
     # perceive chirality