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Commit 23aadc7d authored by Gerardo Tauriello's avatar Gerardo Tauriello
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Make optimize_subrotamers handling default.

parent 81f4c420
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...@@ -354,7 +354,7 @@ def _GetDisulfidBridges(frame_residues, cystein_indices, res_list, rotamer_libra ...@@ -354,7 +354,7 @@ def _GetDisulfidBridges(frame_residues, cystein_indices, res_list, rotamer_libra
def Reconstruct(ent, keep_sidechains=False, build_disulfids=True, def Reconstruct(ent, keep_sidechains=False, build_disulfids=True,
rotamer_model="frm", consider_ligands=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): graph_max_complexity=100000000, graph_initial_epsilon=0.02):
'''Reconstruct sidechains for the given structure. '''Reconstruct sidechains for the given structure.
...@@ -385,7 +385,7 @@ def Reconstruct(ent, keep_sidechains=False, build_disulfids=True, ...@@ -385,7 +385,7 @@ def Reconstruct(ent, keep_sidechains=False, build_disulfids=True,
library. library.
:type rotamer_library: :class:`BBDepRotamerLib` / :class:`RotamerLib` :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". is "frm".
If set to True, the FRM solution undergoes If set to True, the FRM solution undergoes
some postprocessing by calling some postprocessing by calling
......
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