Commit 553121a0 authored by Jacob Durrant's avatar Jacob Durrant

No respects specified chirality.

parent 1f8d41f2
......@@ -249,7 +249,7 @@ def clean_args(args):
mol_str_list.append("NONE|" + smiles_str)
new_mol_string = Chem.MolToSmiles(mol)
new_mol_string = Chem.MolToSmiles(mol, isomericSmiles=True)
args["smiles"] = [x for x in mol_str_list]
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