[mp-stability] add print

KULL-Centre · Aug 8, 2022 · e833339 · e833339
1 parent 66653f4
commit e833339
Showing 1 changed file with 1 addition and 0 deletions.
diff --git a/software/rosetta_ddG_pipeline/mp_prepare.py b/software/rosetta_ddG_pipeline/mp_prepare.py
@@ -154,6 +154,7 @@ def superpose_MMLigner(target_pdb, target_chain, reference_pdb, reference_chain,
         f"{target_pdb}:{target_chain} "
         "--superpose"
         "")
+    print(f"Superpose pdbs using MMLigner: {exect_mmlinger} - here: {exec_dir}")
     mmlinger_call = subprocess.Popen(
                 exect_mmlinger, stdout=subprocess.PIPE, stderr=subprocess.STDOUT, shell=True, cwd=exec_dir)
     mmlinger_process_id_info = mmlinger_call.communicate()