fix for new iotbx.pdb behavior

ExcitedStates · Apr 28, 2024 · 15e2fa3 · 15e2fa3
1 parent 48cf999
commit 15e2fa3
Showing 1 changed file with 2 additions and 1 deletion.
diff --git a/src/qfit/structure/pdbfile.py b/src/qfit/structure/pdbfile.py
@@ -156,7 +156,8 @@ def load_combined_atoms(*atom_lists):
 
 
 def load_atoms_from_labels(atom_labels):
-    atom_lines = [atom.format_atom_record_group() for atom in atom_labels]
+    atom_lines = [atom.format_atom_record_group().split('\n')[0]
+                  for atom in atom_labels]
     return iotbx.pdb.pdb_input(source_info="qfit_structure",
                                lines=atom_lines)