RemoveAllHs

xchem · Apr 5, 2024 · 358393b · 358393b
1 parent 2cfb267
commit 358393b
Showing 1 changed file with 1 addition and 1 deletion.
diff --git a/src/xchemalign/utils.py b/src/xchemalign/utils.py
@@ -374,7 +374,7 @@ def gen_mol_from_cif(cif_file):
     Chem.SanitizeMol(mol)
     mol.AddConformer(conf)
     Chem.AssignStereochemistryFrom3D(mol)
-    mol = Chem.RemoveHs(mol)
+    mol = Chem.RemoveAllHs(mol)
 
     return mol