diff --git a/prolif/molecule.py b/prolif/molecule.py index 258248b..3138bff 100644 --- a/prolif/molecule.py +++ b/prolif/molecule.py @@ -369,7 +369,12 @@ def _adjust_hydrogens(template: Chem.Mol, pdbqt_mol: Chem.Mol) -> Chem.Mol: mol = rwmol.GetMol() # sanitize mol.UpdatePropertyCache() - Chem.SanitizeMol(mol) + Chem.SanitizeMol( + mol, + sanitizeOps=Chem.SanitizeFlags.SANITIZE_ALL + ^ Chem.SanitizeFlags.SANITIZE_KEKULIZE + ) + return mol def __len__(self) -> int: