diff --git a/pyext/src/macros.py b/pyext/src/macros.py index 5d674ffd..843eae18 100644 --- a/pyext/src/macros.py +++ b/pyext/src/macros.py @@ -456,7 +456,7 @@ def execute_macro(self): str(myindex) + ".out" if not self.test_mode: output.init_stat2(replica_stat_file, [rex], - extralabels=["score"]) + extralabels=["score"]) print("Setting up best pdb files") if not self.is_multi_state: @@ -607,13 +607,13 @@ def execute_macro(self): rex.swap_temp(i, score) if self.nest and len(sampled_likelihoods) > 0: - with open( - "likelihoods_" + \ - str(self.replica_exchange_object.get_my_index()),"wb") as lif: + with open("likelihoods_" + + str(self.replica_exchange_object.get_my_index()), + "wb") as lif: pickle.dump(sampled_likelihoods, lif) nestor_rmf_fname = str(self.nestor_rmf_fname) + '_' + \ - str(self.replica_exchange_object.get_my_index()) +'.rmf3' + str(self.replica_exchange_object.get_my_index()) + '.rmf3' self.rmf_h = RMF.create_rmf_file(nestor_rmf_fname) IMP.rmf.add_hierarchy(self.rmf_h, self.root_hier)