SCHWED-882: fixed return value of MinimizeModelEnergy

modelling/pymod/_pipeline.py

@@ -330,12 +330,11 @@ def MinimizeModelEnergy(mhandle, max_iterations=12, max_iter_sd=20,
             break
 
     # update model
-    simulation_ent = sim.GetEntity()
-    mhandle.model = mol.CreateEntityFromView(\
-                            simulation_ent.Select("peptide=true and ele!=H"),
-                            True)
+    simulation_ent = _GetSimEntity(sim)
+    mhandle.model = mol.CreateEntityFromView(simulation_ent.Select("ele!=H"),
+                                             True)
     # return model with hydrogens
-    return mol.CreateEntityFromView(simulation_ent.Select("peptide=true"), True)
+    return simulation_ent
 
 def CheckFinalModel(mhandle):
     '''Performs samity checks on final models and reports problems.