added ligand_breakdown to match_lig_list

hjkgrp · Oct 10, 2024 · d34b770 · d34b770
1 parent d3fa63d
commit d34b770
Showing 1 changed file with 2 additions and 0 deletions.
diff --git a/molSimplify/Classes/mol3D.py b/molSimplify/Classes/mol3D.py
@@ -4176,6 +4176,7 @@ def match_lig_list(self, init_mol, catoms_arr=None,
         """
 
         from molSimplify.Informatics.graph_analyze import obtain_truncation_metal
+        from molSimplify.Classes.ligand import ligand_breakdown
         flag_match = True
         self.my_mol_trunc = mol3D()
         self.my_mol_trunc.copymol3D(self)
@@ -4316,6 +4317,7 @@ def ligand_comp_org(self, init_mol, catoms_arr=None,
                 Dictionary containing rmsd_max and atom_dist_max.
         """
         from molSimplify.Scripts.oct_check_mols import readfromtxt
+        from molSimplify.Classes.ligand import ligand_breakdown
         _, _, flag_match = self.match_lig_list(init_mol,
                                                catoms_arr=catoms_arr,
                                                BondedOct=BondedOct,