Test new graph cluster conformer site formation approach

xchem · Jan 30, 2024 · 388f9df · 388f9df
1 parent bc78f95
commit 388f9df
Showing 1 changed file with 2 additions and 0 deletions.
diff --git a/src/xchemalign/aligner.py b/src/xchemalign/aligner.py
@@ -332,6 +332,8 @@ def _perform_alignments(self, meta):
             self.logger.info(f"Dataset {dtag} has {len(dataset.ligand_binding_events)} ligand binding events!")
         self.logger.info(f"Got {len(reference_datasets)} reference datasets")
         self.logger.info(f"Got {len(new_datasets)} new datasets")
+        for dtag, dataset in datasets.items():
+            self.logger.info(f"{dtag} : {dataset.mtz}")
 
         # Get assemblies
         if source_fs_model: