diff --git a/sidechain/pymod/_reconstruct_sidechains.py b/sidechain/pymod/_reconstruct_sidechains.py index f39a1bd5cfd0c8bea47874fbacf62cf54036945b..b43b7027a0ab0d5082b7f851a48606d3c056f371 100644 --- a/sidechain/pymod/_reconstruct_sidechains.py +++ b/sidechain/pymod/_reconstruct_sidechains.py @@ -354,7 +354,7 @@ def _GetDisulfidBridges(frame_residues, cystein_indices, res_list, rotamer_libra def Reconstruct(ent, keep_sidechains=False, build_disulfids=True, rotamer_model="frm", consider_ligands=True, - rotamer_library=None, optimize_subrotamers = False, + rotamer_library=None, optimize_subrotamers=True, graph_max_complexity=100000000, graph_initial_epsilon=0.02): '''Reconstruct sidechains for the given structure. @@ -385,7 +385,7 @@ def Reconstruct(ent, keep_sidechains=False, build_disulfids=True, library. :type rotamer_library: :class:`BBDepRotamerLib` / :class:`RotamerLib` - :param optimize_subrotamers: Only considered when **rotamer_model** + :param optimize_subrotamers: Only considered when *rotamer_model* is "frm". If set to True, the FRM solution undergoes some postprocessing by calling