Test data for a dataset that is manual and ligand bound

xchem · Nov 23, 2023 · 4d17343 · 4d17343
1 parent e2aae80
commit 4d17343
Showing 1 changed file with 3 additions and 0 deletions.
diff --git a/src/xchemalign/collator.py b/src/xchemalign/collator.py
@@ -635,6 +635,9 @@ def _copy_files(self, meta):
                             if hist_data:
                                 if digest == hist_data.get(Constants.META_SHA256):
                                     num_identical_historical_event_maps += 1
+                        else:
+                            event_maps_to_copy[k] = (None, None, None, k, tup[1], tup[2])
+
 
             else:
                 self.logger.error("PDB entry missing for {}".format(xtal_name))