expose keep_sidechains flag in promod3.modelling.BuildSidechains

modelling/pymod/_pipeline.py

@@ -183,7 +183,7 @@ def _GetSimEntity(sim):
 
 def BuildSidechains(mhandle, merge_distance=4, fragment_db=None,
                     structure_db=None, torsion_sampler=None,
-                    rotamer_library=None):
+                    rotamer_library=None, keep_sidechains=True):
     '''Build sidechains for model.
 
     This is a wrapper for :func:`promod3.modelling.ReconstructSidechains`, 
@@ -213,7 +213,12 @@ def BuildSidechains(mhandle, merge_distance=4, fragment_db=None,
                             :func:`modelling.ReconstructSidechains`, a default 
                             one is loaded if None.
     :type rotamer_library:  :class:`~promod3.sidechain.RotamerLib` or
-                            :class:`~promod3.sidechain.BBDepRotamerLib` 
+                            :class:`~promod3.sidechain.BBDepRotamerLib`
+    :param keep_sidechains: Used as parameter for
+                            :func:`~promod3.modelling.ReconstructSidechains`,
+                            controls if complete sidechains in *mhandle* should
+                            be kept and not re-modelled.
+    :type keep_sidechains:  :class:`bool`
     '''
     prof = core.StaticRuntimeProfiler.StartScoped('pipeline::BuildSidechains')
     ost.LogInfo("Rebuilding sidechains.")
@@ -246,7 +251,7 @@ def BuildSidechains(mhandle, merge_distance=4, fragment_db=None,
         FillLoopsByDatabase(mhandle, fragment_db, structure_db,
                             torsion_sampler, ring_punch_detection=2)
         # re-build sidechains
-        ReconstructSidechains(mhandle.model, keep_sidechains=True,
+        ReconstructSidechains(mhandle.model, keep_sidechains=keep_sidechains,
                               rotamer_library=rotamer_library)
         # restore gaps
         mhandle.gaps = StructuralGapList()