Update for addressing KRS alignment error

xchem · Nov 28, 2024 · a14b2e9 · a14b2e9
1 parent 80e8979
commit a14b2e9
Showing 1 changed file with 1 addition and 1 deletion.
diff --git a/src/ligand_neighbourhood_alignment/cli.py b/src/ligand_neighbourhood_alignment/cli.py
@@ -441,7 +441,7 @@ def _get_structures(datasets):
             cell_lengths = np.max(pos_array) - np.min(pos_array)
 
             structure.cell = gemmi.UnitCell(cell_lengths[0], cell_lengths[1], cell_lengths[2], 90.0, 90.0, 90.0)
-        print(structure.cell.a)
+        # print(structure.cell.a)
         structures[dataset.dtag] = structure
 
     return structures