Fix batch parameter (PanDDA2)

rowanwalker96 · rowanwalker96 · commit ac9001a3c2ba · 2026-02-27T09:30:42.000Z
diff --git a/src/dlstbx/wrapper/pandda_xchem.py b/src/dlstbx/wrapper/pandda_xchem.py
@@ -48,6 +48,7 @@ def run(self):
                 dtag = datasets[int(slurm_task_id) - 1]
         else:
             dtag = params.get("dtag")
+            batch = False
 
         dataset_dir = model_dir / dtag
         compound_dir = dataset_dir / "compound"
