Overhaul of collator.py:_copy_files to handle datasets with ligands b…

…ut without event maps
xchem · Nov 23, 2023 · e8caa8c · e8caa8c
1 parent b747fcb
commit e8caa8c
Showing 1 changed file with 1 addition and 1 deletion.
diff --git a/src/xchemalign/collator.py b/src/xchemalign/collator.py
@@ -758,7 +758,7 @@ def _copy_files(self, meta):
                                 continue
                             attested_ligand_event_data = attested_ligand_events[ligand_key]
                             data = {
-                                Constants.META_FILE: str(attested_ligand_event_data[0]),
+                                Constants.META_FILE: str(attested_ligand_event_data[1]),
                                 Constants.META_SHA256: attested_ligand_event_data[2],
                                 Constants.META_PROT_MODEL: ligand_key[0],
                                 Constants.META_PROT_CHAIN: ligand_key[1],