Implement remediation against wrong CS annotation confusing Entity_as…

…sembly_ID as Comp_index_ID (2lrc)
wwPDB · Mar 29, 2024 · 98646a3 · 98646a3
1 parent 1b74793
commit 98646a3
Showing 1 changed file with 8 additions and 0 deletions.
diff --git a/wwpdb/utils/nmr/NEFTranslator/NEFTranslator.py b/wwpdb/utils/nmr/NEFTranslator/NEFTranslator.py
@@ -1503,6 +1503,14 @@ def skip_empty_value_error(lp, idx):
                     if row[2] in emptyValue:
                         has_valid_chain_id = False
                         break
+                if has_valid_chain_id:
+                    wrong_chain_id_anno = True
+                    for row in seq_data:
+                        if row[0] != row[2]:
+                            wrong_chain_id_anno = False
+                            break
+                    if wrong_chain_id_anno:
+                        has_valid_chain_id = False
                 if not has_valid_chain_id:
                     seq_data = get_lp_tag(loop, tags__)
                     for row in seq_data: