add sites_match import in mol.py

zadorlab · Mar 12, 2025 · 1827d25 · 1827d25
1 parent a711483
commit 1827d25
Showing 1 changed file with 1 addition and 1 deletion.
diff --git a/pynta/mol.py b/pynta/mol.py
@@ -13,7 +13,7 @@
                          get_rodrigues_rotation_matrix,
                          get_angle_between,
                          get_rejection_between)
-from pynta.utils import get_unique_sym_struct_index_clusters, get_unique_sym, get_unique_sym_structs, get_unique_sym_struct_indices, get_occupied_sites
+from pynta.utils import get_unique_sym_struct_index_clusters, get_unique_sym, get_unique_sym_structs, get_unique_sym_struct_indices, get_occupied_sites, sites_match
 from pynta.calculator import run_harmonically_forced_xtb
 from rdkit import Chem
 from copy import deepcopy