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- builtins.object
-
- BumpSelector
- BumpSelectorDecision
- ContinuousRotamerSet
- ContinuousRotamerSets
- RotamerCouplings
- RotamerLinks
- RotamerOperation
- RotamerSetFactory
- RotamerSetOperation
-
- AddResiduesRotamerSetOperation
- DeleteAllRotamerSetOperation
- UnboundRotamersOperation
- RotamerSetsBase
-
- FixbbRotamerSets
-
- RotamerSets
- RotamerSubsets
- WaterAnchorInfo
- rosetta.basic.datacache.CacheableData(builtins.object)
-
- WaterPackingInfo
- rosetta.core.conformation.RotamerSetBase(builtins.object)
-
- RotamerSet
-
- RotamerSet_
- RotamerSubset
class AddResiduesRotamerSetOperation(RotamerSetOperation) |
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Adds in rotamers from a list of Residues,
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- Method resolution order:
- AddResiduesRotamerSetOperation
- RotamerSetOperation
- builtins.object
Methods defined here:
- __init__(...) from builtins.PyCapsule
- __init__(self : handle, residues : rosetta.utility.vector1_std_shared_ptr_core_conformation_Residue_t) -> NoneType
- __new__(*args, **kwargs) from builtins.type
- Create and return a new object. See help(type) for accurate signature.
- alter_rotamer_set(...) from builtins.PyCapsule
- alter_rotamer_set(self : rosetta.core.pack.rotamer_set.AddResiduesRotamerSetOperation, pose : rosetta.core.pose.Pose, : rosetta.core.scoring.ScoreFunction, : rosetta.core.pack.task.PackerTask, : rosetta.core.graph.Graph, rotamer_set : rosetta.core.pack.rotamer_set.RotamerSet) -> NoneType
- assign(...) from builtins.PyCapsule
- assign(self : rosetta.core.pack.rotamer_set.AddResiduesRotamerSetOperation, : rosetta.core.pack.rotamer_set.AddResiduesRotamerSetOperation) -> rosetta.core.pack.rotamer_set.AddResiduesRotamerSetOperation
- clone(...) from builtins.PyCapsule
- clone(rosetta.core.pack.rotamer_set.AddResiduesRotamerSetOperation) -> rosetta.core.pack.rotamer_set.RotamerSetOperation
Methods inherited from RotamerSetOperation:
- increase_packer_residue_radius(...) from builtins.PyCapsule
- increase_packer_residue_radius(self : rosetta.core.pack.rotamer_set.RotamerSetOperation, pose : rosetta.core.pose.Pose, the_task : rosetta.core.pack.task.PackerTask, residue_in : int) -> float
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class ContinuousRotamerSet(builtins.object) |
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Methods defined here:
- __init__(...) from builtins.PyCapsule
- __init__(rosetta.core.pack.rotamer_set.ContinuousRotamerSet) -> NoneType
- __new__(*args, **kwargs) from builtins.type
- Create and return a new object. See help(type) for accurate signature.
- assign(...) from builtins.PyCapsule
- assign(self : rosetta.core.pack.rotamer_set.ContinuousRotamerSet, : rosetta.core.pack.rotamer_set.ContinuousRotamerSet) -> rosetta.core.pack.rotamer_set.ContinuousRotamerSet
- baserotamer_data(...) from builtins.PyCapsule
- baserotamer_data(self : rosetta.core.pack.rotamer_set.ContinuousRotamerSet, aa_ind : int, rotid_for_aa : int) -> rosetta.core.pack.dunbrack.DunbrackRotamerSampleData
- build_rotamers(...) from builtins.PyCapsule
- build_rotamers(self : rosetta.core.pack.rotamer_set.ContinuousRotamerSet, pose : rosetta.core.pose.Pose, resid : int, task : rosetta.core.pack.task.PackerTask) -> NoneType
- current_rotamer_coords(...) from builtins.PyCapsule
- current_rotamer_coords(rosetta.core.pack.rotamer_set.ContinuousRotamerSet) -> rosetta.utility.vector1_numeric_xyzVector_double_t
- get_n_baserotamers_for_rotblock(...) from builtins.PyCapsule
- get_n_baserotamers_for_rotblock(self : rosetta.core.pack.rotamer_set.ContinuousRotamerSet, which_restype : int) -> int
- get_n_residue_types(...) from builtins.PyCapsule
- get_n_residue_types(rosetta.core.pack.rotamer_set.ContinuousRotamerSet) -> int
- get_n_sampling_rotamers_for_rotblock(...) from builtins.PyCapsule
- get_n_sampling_rotamers_for_rotblock(self : rosetta.core.pack.rotamer_set.ContinuousRotamerSet, which_restype : int) -> int
- get_rotblock_index_for_sampling_rotamer(...) from builtins.PyCapsule
- get_rotblock_index_for_sampling_rotamer(self : rosetta.core.pack.rotamer_set.ContinuousRotamerSet, which_rotamer : int) -> int
Rotamers i to i+j of all the same residue type are grouped together.
This function returns the index of the residue type in a contiguous block
of rotamers. E.g. rotamers 100 to 120 might all be lysine rotamers, and might
be the 8th residue type, with the first 7 residue types spanning rotamers 1 to 99.
If new lysine rotamers are appended to the end of the rotamer set, they are
considered to be in a separate residue type block. Lysine rotamers 200 to 210 might
be block 15 while lysine rotamers 100 to 120 are still block 7.
- num_base_rotamers_total(...) from builtins.PyCapsule
- num_base_rotamers_total(rosetta.core.pack.rotamer_set.ContinuousRotamerSet) -> int
- num_sampling_rotamers_total(...) from builtins.PyCapsule
- num_sampling_rotamers_total(rosetta.core.pack.rotamer_set.ContinuousRotamerSet) -> int
- pick_baserotamer_from_rotblock(...) from builtins.PyCapsule
- pick_baserotamer_from_rotblock(self : rosetta.core.pack.rotamer_set.ContinuousRotamerSet, aa_ind : int, rand_btw_0_and_1 : float) -> int
- resid(...) from builtins.PyCapsule
- resid(rosetta.core.pack.rotamer_set.ContinuousRotamerSet) -> int
- restype_for_rotblock(...) from builtins.PyCapsule
- restype_for_rotblock(self : rosetta.core.pack.rotamer_set.ContinuousRotamerSet, rotblock : int) -> rosetta.core.chemical.ResidueType
- sampling_id_for_current_rotamer(...) from builtins.PyCapsule
- sampling_id_for_current_rotamer(rosetta.core.pack.rotamer_set.ContinuousRotamerSet) -> int
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class ContinuousRotamerSets(builtins.object) |
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Methods defined here:
- __init__(...) from builtins.PyCapsule
- __init__(self : rosetta.core.pack.rotamer_set.ContinuousRotamerSets, pose : rosetta.core.pose.Pose, task : rosetta.core.pack.task.PackerTask) -> NoneType
- __new__(*args, **kwargs) from builtins.type
- Create and return a new object. See help(type) for accurate signature.
- assign(...) from builtins.PyCapsule
- assign(self : rosetta.core.pack.rotamer_set.ContinuousRotamerSets, : rosetta.core.pack.rotamer_set.ContinuousRotamerSets) -> rosetta.core.pack.rotamer_set.ContinuousRotamerSets
- full_sample_rot_index_2_moltenres_sample_rot_index(...) from builtins.PyCapsule
- full_sample_rot_index_2_moltenres_sample_rot_index(self : rosetta.core.pack.rotamer_set.ContinuousRotamerSets, sample_rotno : int) -> int
- moltenres_for_sample_rot(...) from builtins.PyCapsule
- moltenres_for_sample_rot(self : rosetta.core.pack.rotamer_set.ContinuousRotamerSets, sample_rotno : int) -> int
- moltenresid_2_resid(...) from builtins.PyCapsule
- moltenresid_2_resid(self : rosetta.core.pack.rotamer_set.ContinuousRotamerSets, : int) -> int
- n_sample_rotamers(...) from builtins.PyCapsule
- n_sample_rotamers(rosetta.core.pack.rotamer_set.ContinuousRotamerSets) -> int
- nmoltenres(...) from builtins.PyCapsule
- nmoltenres(rosetta.core.pack.rotamer_set.ContinuousRotamerSets) -> int
- resid_2_moltenresid(...) from builtins.PyCapsule
- resid_2_moltenresid(self : rosetta.core.pack.rotamer_set.ContinuousRotamerSets, : int) -> int
- rotamer_set_for_moltenres(...) from builtins.PyCapsule
- rotamer_set_for_moltenres(self : rosetta.core.pack.rotamer_set.ContinuousRotamerSets, : int) -> rosetta.core.pack.rotamer_set.ContinuousRotamerSet
- rotamer_set_for_res(...) from builtins.PyCapsule
- rotamer_set_for_res(self : rosetta.core.pack.rotamer_set.ContinuousRotamerSets, : int) -> rosetta.core.pack.rotamer_set.ContinuousRotamerSet
- total_residue(...) from builtins.PyCapsule
- total_residue(rosetta.core.pack.rotamer_set.ContinuousRotamerSets) -> int
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class DeleteAllRotamerSetOperation(RotamerSetOperation) |
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Adds in rotamers from a list of Residues,
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- Method resolution order:
- DeleteAllRotamerSetOperation
- RotamerSetOperation
- builtins.object
Methods defined here:
- __init__(...) from builtins.PyCapsule
- __init__(handle) -> NoneType
- __new__(*args, **kwargs) from builtins.type
- Create and return a new object. See help(type) for accurate signature.
- alter_rotamer_set(...) from builtins.PyCapsule
- alter_rotamer_set(self : rosetta.core.pack.rotamer_set.DeleteAllRotamerSetOperation, pose : rosetta.core.pose.Pose, sfxn : rosetta.core.scoring.ScoreFunction, ptask : rosetta.core.pack.task.PackerTask, packer_neighbor_graph : rosetta.core.graph.Graph, rotamer_set : rosetta.core.pack.rotamer_set.RotamerSet) -> NoneType
- assign(...) from builtins.PyCapsule
- assign(self : rosetta.core.pack.rotamer_set.DeleteAllRotamerSetOperation, : rosetta.core.pack.rotamer_set.DeleteAllRotamerSetOperation) -> rosetta.core.pack.rotamer_set.DeleteAllRotamerSetOperation
- clone(...) from builtins.PyCapsule
- clone(rosetta.core.pack.rotamer_set.DeleteAllRotamerSetOperation) -> rosetta.core.pack.rotamer_set.RotamerSetOperation
Methods inherited from RotamerSetOperation:
- increase_packer_residue_radius(...) from builtins.PyCapsule
- increase_packer_residue_radius(self : rosetta.core.pack.rotamer_set.RotamerSetOperation, pose : rosetta.core.pose.Pose, the_task : rosetta.core.pack.task.PackerTask, residue_in : int) -> float
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class FixbbRotamerSets(RotamerSetsBase) |
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- Method resolution order:
- FixbbRotamerSets
- RotamerSetsBase
- builtins.object
Methods defined here:
- __init__(self, /, *args, **kwargs)
- Initialize self. See help(type(self)) for accurate signature.
- __new__(*args, **kwargs) from builtins.type
- Create and return a new object. See help(type) for accurate signature.
- assign(...) from builtins.PyCapsule
- assign(self : rosetta.core.pack.rotamer_set.FixbbRotamerSets, : rosetta.core.pack.rotamer_set.FixbbRotamerSets) -> rosetta.core.pack.rotamer_set.FixbbRotamerSets
- begin(...) from builtins.PyCapsule
- begin(rosetta.core.pack.rotamer_set.FixbbRotamerSets) -> __gnu_cxx::__normal_iterator<std::shared_ptr<core::pack::rotamer_set::RotamerSet> const*, std::vector<std::shared_ptr<core::pack::rotamer_set::RotamerSet>, std::allocator<std::shared_ptr<core::pack::rotamer_set::RotamerSet> > > >
- end(...) from builtins.PyCapsule
- end(rosetta.core.pack.rotamer_set.FixbbRotamerSets) -> __gnu_cxx::__normal_iterator<std::shared_ptr<core::pack::rotamer_set::RotamerSet> const*, std::vector<std::shared_ptr<core::pack::rotamer_set::RotamerSet>, std::allocator<std::shared_ptr<core::pack::rotamer_set::RotamerSet> > > >
- moltenres_2_resid_vector(...) from builtins.PyCapsule
- moltenres_2_resid_vector(rosetta.core.pack.rotamer_set.FixbbRotamerSets) -> rosetta.utility.vector1_unsigned_long
- resid_2_moltenres_vector(...) from builtins.PyCapsule
- resid_2_moltenres_vector(rosetta.core.pack.rotamer_set.FixbbRotamerSets) -> rosetta.utility.vector1_unsigned_long
- rotamer_set_for_moltenresidue(...) from builtins.PyCapsule
- rotamer_set_for_moltenresidue(*args, **kwargs)
Overloaded function.
1. rotamer_set_for_moltenresidue(self : rosetta.core.pack.rotamer_set.FixbbRotamerSets, moltenresid : int) -> core::pack::rotamer_set::RotamerSet
2. rotamer_set_for_moltenresidue(self : rosetta.core.pack.rotamer_set.FixbbRotamerSets, moltenresid : int) -> core::pack::rotamer_set::RotamerSet
- rotamer_set_for_residue(...) from builtins.PyCapsule
- rotamer_set_for_residue(*args, **kwargs)
Overloaded function.
1. rotamer_set_for_residue(self : rosetta.core.pack.rotamer_set.FixbbRotamerSets, resid : int) -> core::pack::rotamer_set::RotamerSet
2. rotamer_set_for_residue(self : rosetta.core.pack.rotamer_set.FixbbRotamerSets, resid : int) -> core::pack::rotamer_set::RotamerSet
Methods inherited from RotamerSetsBase:
- __str__(...) from builtins.PyCapsule
- __str__(rosetta.core.pack.rotamer_set.RotamerSetsBase) -> str
- initialize_pose_for_rotsets_creation(...) from builtins.PyCapsule
- initialize_pose_for_rotsets_creation(self : rosetta.core.pack.rotamer_set.RotamerSetsBase, pose : rosetta.core.pose.Pose) -> NoneType
Give the pose a chance to stash any data needed by the _rotset_
need nonconst access to pose
- moltenres_2_resid(...) from builtins.PyCapsule
- moltenres_2_resid(self : rosetta.core.pack.rotamer_set.RotamerSetsBase, : int) -> int
- moltenres_for_rotamer(...) from builtins.PyCapsule
- moltenres_for_rotamer(self : rosetta.core.pack.rotamer_set.RotamerSetsBase, : int) -> int
- moltenres_rotid_2_rotid(...) from builtins.PyCapsule
- moltenres_rotid_2_rotid(self : rosetta.core.pack.rotamer_set.RotamerSetsBase, moltenres : int, moltenresrotid : int) -> int
convert moltenres rotid to id in full rotamer enumeration
- nmoltenres(...) from builtins.PyCapsule
- nmoltenres(rosetta.core.pack.rotamer_set.RotamerSetsBase) -> int
- nrotamer_offset_for_moltenres(...) from builtins.PyCapsule
- nrotamer_offset_for_moltenres(self : rosetta.core.pack.rotamer_set.RotamerSetsBase, : int) -> int
- nrotamers(...) from builtins.PyCapsule
- nrotamers(rosetta.core.pack.rotamer_set.RotamerSetsBase) -> int
- nrotamers_for_moltenres(...) from builtins.PyCapsule
- nrotamers_for_moltenres(self : rosetta.core.pack.rotamer_set.RotamerSetsBase, : int) -> int
- res_for_rotamer(...) from builtins.PyCapsule
- res_for_rotamer(self : rosetta.core.pack.rotamer_set.RotamerSetsBase, : int) -> int
- resid_2_moltenres(...) from builtins.PyCapsule
- resid_2_moltenres(self : rosetta.core.pack.rotamer_set.RotamerSetsBase, : int) -> int
- rotamer(...) from builtins.PyCapsule
- rotamer(self : rosetta.core.pack.rotamer_set.RotamerSetsBase, : int) -> rosetta.core.conformation.Residue
- rotamer_for_moltenres(...) from builtins.PyCapsule
- rotamer_for_moltenres(self : rosetta.core.pack.rotamer_set.RotamerSetsBase, moltenres_id : int, rotamerid : int) -> rosetta.core.conformation.Residue
- rotid_on_moltenresidue(...) from builtins.PyCapsule
- rotid_on_moltenresidue(self : rosetta.core.pack.rotamer_set.RotamerSetsBase, rotid : int) -> int
convert rotid in full rotamer enumeration into rotamer id on its source residue
- total_residue(...) from builtins.PyCapsule
- total_residue(rosetta.core.pack.rotamer_set.RotamerSetsBase) -> int
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class RotamerLinks(builtins.object) |
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Methods defined here:
- __init__(...) from builtins.PyCapsule
- __init__(rosetta.core.pack.rotamer_set.RotamerLinks) -> NoneType
- __new__(*args, **kwargs) from builtins.type
- Create and return a new object. See help(type) for accurate signature.
- assign(...) from builtins.PyCapsule
- assign(self : rosetta.core.pack.rotamer_set.RotamerLinks, : rosetta.core.pack.rotamer_set.RotamerLinks) -> rosetta.core.pack.rotamer_set.RotamerLinks
- get_equiv(...) from builtins.PyCapsule
- get_equiv(self : rosetta.core.pack.rotamer_set.RotamerLinks, index : int) -> rosetta.utility.vector1_unsigned_long
- has(...) from builtins.PyCapsule
- has(self : rosetta.core.pack.rotamer_set.RotamerLinks, index : int) -> bool
- resize(...) from builtins.PyCapsule
- resize(self : rosetta.core.pack.rotamer_set.RotamerLinks, res : int) -> NoneType
- set_equiv(...) from builtins.PyCapsule
- set_equiv(*args, **kwargs)
Overloaded function.
1. set_equiv(self : rosetta.core.pack.rotamer_set.RotamerLinks, rs1 : int, rs2 : int) -> NoneType
2. set_equiv(self : rosetta.core.pack.rotamer_set.RotamerLinks, rs1 : int, list : rosetta.utility.vector1_int) -> NoneType
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class RotamerOperation(builtins.object) |
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RotamerSetOperations are able to modify the contents of a RotamerSet
within the packer immediately after rotamer creation.
They are handed into the packer through a packer task; each ResidueLevelTask
keeps its own list of rotamer set operations.
Each RotamerSet, within the build_rotamers() method will iterate across
the RotamerSetOperation objects, and call alter_rotamer_set on each
element in the ResidueLevelTask's list of rotamer_set_operations.
RotamerSetOperations are visited in the order in which they are appended
to the ResidueLevelTasks's operation list.
RotamerSetOperations are unable to correlate changes to rotamer sets across
multiple rotamer sets -- they have access to only a single RotamerSet object
in their alter_rotamer_set operations. For correlated alterations to rotamer
sets, the (as of yet undefined) RotamerSetsOperation class should be used.
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Methods defined here:
- __call__(...) from builtins.PyCapsule
- __call__(self : rosetta.core.pack.rotamer_set.RotamerOperation, rotamer : rosetta.core.conformation.Residue, pose : rosetta.core.pose.Pose, sfxn : rosetta.core.scoring.ScoreFunction, rtask : rosetta.core.pack.task.ResidueLevelTask, packer_neighbor_graph : rosetta.core.graph.Graph, chi_set : rosetta.core.pack.dunbrack.ChiSet) -> bool
- __init__(...) from builtins.PyCapsule
- __init__(rosetta.core.pack.rotamer_set.RotamerOperation) -> NoneType
- __new__(*args, **kwargs) from builtins.type
- Create and return a new object. See help(type) for accurate signature.
- assign(...) from builtins.PyCapsule
- assign(self : rosetta.core.pack.rotamer_set.RotamerOperation, : rosetta.core.pack.rotamer_set.RotamerOperation) -> rosetta.core.pack.rotamer_set.RotamerOperation
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class RotamerSet(rosetta.core.conformation.RotamerSetBase) |
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- Method resolution order:
- RotamerSet
- rosetta.core.conformation.RotamerSetBase
- builtins.object
Methods defined here:
- __init__(self, /, *args, **kwargs)
- Initialize self. See help(type(self)) for accurate signature.
- __new__(*args, **kwargs) from builtins.type
- Create and return a new object. See help(type) for accurate signature.
- __str__(...) from builtins.PyCapsule
- __str__(rosetta.core.pack.rotamer_set.RotamerSet) -> str
- add_rotamer(...) from builtins.PyCapsule
- add_rotamer(self : rosetta.core.pack.rotamer_set.RotamerSet, rotamer : rosetta.core.conformation.Residue) -> NoneType
- assign(...) from builtins.PyCapsule
- assign(self : rosetta.core.pack.rotamer_set.RotamerSet, : rosetta.core.pack.rotamer_set.RotamerSet) -> rosetta.core.pack.rotamer_set.RotamerSet
- begin(...) from builtins.PyCapsule
- begin(rosetta.core.pack.rotamer_set.RotamerSet) -> __gnu_cxx::__normal_iterator<std::shared_ptr<core::conformation::Residue> const*, std::vector<std::shared_ptr<core::conformation::Residue>, std::allocator<std::shared_ptr<core::conformation::Residue> > > >
- build_dependent_rotamers(...) from builtins.PyCapsule
- build_dependent_rotamers(self : rosetta.core.pack.rotamer_set.RotamerSet, rotamer_sets : rosetta.core.pack.rotamer_set.RotamerSets, pose : rosetta.core.pose.Pose, scorefxn : rosetta.core.scoring.ScoreFunction, task : rosetta.core.pack.task.PackerTask, packer_neighbor_graph : rosetta.core.graph.Graph) -> NoneType
- build_rotamers(...) from builtins.PyCapsule
- build_rotamers(*args, **kwargs)
Overloaded function.
1. build_rotamers(self : rosetta.core.pack.rotamer_set.RotamerSet, the_pose : rosetta.core.pose.Pose, scorefxn : rosetta.core.scoring.ScoreFunction, task : rosetta.core.pack.task.PackerTask, packer_neighbor_graph : rosetta.core.graph.Graph) -> NoneType
2. build_rotamers(self : rosetta.core.pack.rotamer_set.RotamerSet, the_pose : rosetta.core.pose.Pose, scorefxn : rosetta.core.scoring.ScoreFunction, task : rosetta.core.pack.task.PackerTask, packer_neighbor_graph : rosetta.core.graph.Graph, use_neighbor_context : bool) -> NoneType
- compute_one_body_energies(...) from builtins.PyCapsule
- compute_one_body_energies(self : rosetta.core.pack.rotamer_set.RotamerSet, pose : rosetta.core.pose.Pose, scorefxn : rosetta.core.scoring.ScoreFunction, task : rosetta.core.pack.task.PackerTask, packer_neighbor_graph : rosetta.core.graph.Graph, energies : rosetta.utility.vector1_float) -> NoneType
- compute_one_body_energy_maps(...) from builtins.PyCapsule
- compute_one_body_energy_maps(self : rosetta.core.pack.rotamer_set.RotamerSet, pose : rosetta.core.pose.Pose, scorefxn : rosetta.core.scoring.ScoreFunction, task : rosetta.core.pack.task.PackerTask, packer_neighbor_graph : rosetta.core.graph.Graph, energies : rosetta.utility.vector1_core_scoring_EMapVector) -> NoneType
for OptE
- drop_rotamer(...) from builtins.PyCapsule
- drop_rotamer(self : rosetta.core.pack.rotamer_set.RotamerSet, rot_id : int) -> NoneType
removes a single rotamer and causes a rotamer index update
- drop_rotamers(...) from builtins.PyCapsule
- drop_rotamers(self : rosetta.core.pack.rotamer_set.RotamerSet, rotamers_to_delete : rosetta.utility.vector1_bool) -> NoneType
rotamers_to_delete must be of size nrotmaers -- each position
in the array that's "true" is removed from the set of rotamers
- drop_rotamers_by_index(...) from builtins.PyCapsule
- drop_rotamers_by_index(self : rosetta.core.pack.rotamer_set.RotamerSet, rotamer_indices_to_delete : rosetta.utility.vector1_unsigned_long) -> NoneType
deletes the rotamers in the list with the given indices.
The indices of these rotamers is presumed to be those before any delete operation.
e.g. if there are four rotamers, and rotamer_indices_to_delete includes 1 & 3,
then the rotamers that will remain are the rotamers originally indexed as 2 and 4,
even though their new indices will be 1 & 2.
- end(...) from builtins.PyCapsule
- end(rosetta.core.pack.rotamer_set.RotamerSet) -> __gnu_cxx::__normal_iterator<std::shared_ptr<core::conformation::Residue> const*, std::vector<std::shared_ptr<core::conformation::Residue>, std::allocator<std::shared_ptr<core::conformation::Residue> > > >
- get_n_residue_groups(...) from builtins.PyCapsule
- get_n_residue_groups(rosetta.core.pack.rotamer_set.RotamerSet) -> int
Return the number of different residue groups. Two residue types are considered
to be part of the same block of residues if 1. they have the same address or 2. they have
the same "name3" and the same neighbor radius.
- get_n_residue_types(...) from builtins.PyCapsule
- get_n_residue_types(rosetta.core.pack.rotamer_set.RotamerSet) -> int
Return the number of different residue types; two residue types are considered
different if they have a different address.
- get_n_rotamers_for_residue_group(...) from builtins.PyCapsule
- get_n_rotamers_for_residue_group(self : rosetta.core.pack.rotamer_set.RotamerSet, which_resgroup : int) -> int
- get_n_rotamers_for_residue_type(...) from builtins.PyCapsule
- get_n_rotamers_for_residue_type(self : rosetta.core.pack.rotamer_set.RotamerSet, which_restype : int) -> int
- get_residue_group_begin(...) from builtins.PyCapsule
- get_residue_group_begin(self : rosetta.core.pack.rotamer_set.RotamerSet, which_resgroup : int) -> int
Return the first rotamer that belongs to a particular rotamer group
- get_residue_group_index_for_rotamer(...) from builtins.PyCapsule
- get_residue_group_index_for_rotamer(self : rosetta.core.pack.rotamer_set.RotamerSet, which_rotamer : int) -> int
Return the index of the rotamer group for a particular rotamer.
- get_residue_type_begin(...) from builtins.PyCapsule
- get_residue_type_begin(self : rosetta.core.pack.rotamer_set.RotamerSet, which_restype : int) -> int
Return the first rotamer of a particular residue type
- get_residue_type_index_for_rotamer(...) from builtins.PyCapsule
- get_residue_type_index_for_rotamer(self : rosetta.core.pack.rotamer_set.RotamerSet, which_rotamer : int) -> int
Rotamers i to i+j of all the same residue type are grouped together.
This function returns the index of the residue type in a contiguous block
of rotamers. E.g. rotamers 100 to 120 might all be lysine rotamers, and might
be the 8th residue type, with the first 7 residue types spanning rotamers 1 to 99.
If new lysine rotamers are appended to the end of the rotamer set, they are
considered to be in a separate residue type block. Lysine rotamers 200 to 210 might
be block 15 while lysine rotamers 100 to 120 are still block 7.
- get_trie(...) from builtins.PyCapsule
- get_trie(self : rosetta.core.pack.rotamer_set.RotamerSet, method_enum_id : int) -> rosetta.core.conformation.AbstractRotamerTrie
- id_for_current_rotamer(...) from builtins.PyCapsule
- id_for_current_rotamer(rosetta.core.pack.rotamer_set.RotamerSet) -> int
- initialize_pose_for_rotset_creation(...) from builtins.PyCapsule
- initialize_pose_for_rotset_creation(self : rosetta.core.pack.rotamer_set.RotamerSet, pose : rosetta.core.pose.Pose) -> NoneType
- nonconst_rotamer(...) from builtins.PyCapsule
- nonconst_rotamer(self : rosetta.core.pack.rotamer_set.RotamerSet, rot_id : int) -> rosetta.core.conformation.Residue
mutatable access to a single rotamer in the set.
- num_rotamers(...) from builtins.PyCapsule
- num_rotamers(rosetta.core.pack.rotamer_set.RotamerSet) -> int
- resid(...) from builtins.PyCapsule
- resid(rosetta.core.pack.rotamer_set.RotamerSet) -> int
- rotamer(...) from builtins.PyCapsule
- rotamer(self : rosetta.core.pack.rotamer_set.RotamerSet, rot_id : int) -> rosetta.core.conformation.Residue
- set_resid(...) from builtins.PyCapsule
- set_resid(self : rosetta.core.pack.rotamer_set.RotamerSet, resid : int) -> NoneType
- store_trie(...) from builtins.PyCapsule
- store_trie(self : rosetta.core.pack.rotamer_set.RotamerSet, method_enum_id : int, trie : rosetta.core.conformation.AbstractRotamerTrie) -> NoneType
Methods inherited from rosetta.core.conformation.RotamerSetBase:
- data(...) from builtins.PyCapsule
- data(*args, **kwargs)
Overloaded function.
1. data(rosetta.core.conformation.RotamerSetBase) -> rosetta.basic.datacache.BasicDataCache
BasicDataCache indexed by enum in core/pack/rotamer_set/RotamerSetCacheableDataType.hh
2. data(rosetta.core.conformation.RotamerSetBase) -> rosetta.basic.datacache.BasicDataCache
BasicDataCache indexed by enum in core/pack/rotamer_set/RotamerSetCacheableDataType.hh
- rotamer_ref(...) from builtins.PyCapsule
- rotamer_ref(self : rosetta.core.conformation.RotamerSetBase, rot_id : int) -> rosetta.core.conformation.Residue
|
class RotamerSetOperation(builtins.object) |
| | |
Methods defined here:
- __init__(...) from builtins.PyCapsule
- __init__(*args, **kwargs)
Overloaded function.
1. __init__(rosetta.core.pack.rotamer_set.RotamerSetOperation) -> NoneType
2. __init__(rosetta.core.pack.rotamer_set.RotamerSetOperation, rosetta.core.pack.rotamer_set.RotamerSetOperation) -> NoneType
- __new__(*args, **kwargs) from builtins.type
- Create and return a new object. See help(type) for accurate signature.
- alter_rotamer_set(...) from builtins.PyCapsule
- alter_rotamer_set(self : rosetta.core.pack.rotamer_set.RotamerSetOperation, pose : rosetta.core.pose.Pose, sfxn : rosetta.core.scoring.ScoreFunction, ptask : rosetta.core.pack.task.PackerTask, packer_neighbor_graph : rosetta.core.graph.Graph, rotamer_set : core::pack::rotamer_set::RotamerSet) -> NoneType
- assign(...) from builtins.PyCapsule
- assign(self : rosetta.core.pack.rotamer_set.RotamerSetOperation, : rosetta.core.pack.rotamer_set.RotamerSetOperation) -> rosetta.core.pack.rotamer_set.RotamerSetOperation
- clone(...) from builtins.PyCapsule
- clone(rosetta.core.pack.rotamer_set.RotamerSetOperation) -> rosetta.core.pack.rotamer_set.RotamerSetOperation
- increase_packer_residue_radius(...) from builtins.PyCapsule
- increase_packer_residue_radius(self : rosetta.core.pack.rotamer_set.RotamerSetOperation, pose : rosetta.core.pose.Pose, the_task : rosetta.core.pack.task.PackerTask, residue_in : int) -> float
|
class RotamerSet_(RotamerSet) |
| |
Container for a set of rotamers for use in packing.
Rotamers are sorted into groups of the same residue type.
Offsets into these rotamer groups are maintained by this class, as is
information concerning the "original rotamer" -- the rotamer
present on the input pose before packing began.
|
| |
- Method resolution order:
- RotamerSet_
- RotamerSet
- rosetta.core.conformation.RotamerSetBase
- builtins.object
Methods defined here:
- __init__(...) from builtins.PyCapsule
- __init__(handle) -> NoneType
- __new__(*args, **kwargs) from builtins.type
- Create and return a new object. See help(type) for accurate signature.
- add_rotamer(...) from builtins.PyCapsule
- add_rotamer(self : rosetta.core.pack.rotamer_set.RotamerSet_, rotamer : rosetta.core.conformation.Residue) -> NoneType
- begin(...) from builtins.PyCapsule
- begin(rosetta.core.pack.rotamer_set.RotamerSet_) -> __gnu_cxx::__normal_iterator<std::shared_ptr<core::conformation::Residue> const*, std::vector<std::shared_ptr<core::conformation::Residue>, std::allocator<std::shared_ptr<core::conformation::Residue> > > >
- build_dependent_rotamers(...) from builtins.PyCapsule
- build_dependent_rotamers(self : rosetta.core.pack.rotamer_set.RotamerSet_, rotamer_sets : rosetta.core.pack.rotamer_set.RotamerSets, pose : rosetta.core.pose.Pose, scorefxn : rosetta.core.scoring.ScoreFunction, task : rosetta.core.pack.task.PackerTask, packer_neighbor_graph : rosetta.core.graph.Graph) -> NoneType
Build rotamers that depend on positions of rotamers built in a previous pass
- build_rotamers(...) from builtins.PyCapsule
- build_rotamers(*args, **kwargs)
Overloaded function.
1. build_rotamers(self : rosetta.core.pack.rotamer_set.RotamerSet_, the_pose : rosetta.core.pose.Pose, scorefxn : rosetta.core.scoring.ScoreFunction, task : rosetta.core.pack.task.PackerTask, packer_neighbor_graph : rosetta.core.graph.Graph) -> NoneType
2. build_rotamers(self : rosetta.core.pack.rotamer_set.RotamerSet_, the_pose : rosetta.core.pose.Pose, scorefxn : rosetta.core.scoring.ScoreFunction, task : rosetta.core.pack.task.PackerTask, packer_neighbor_graph : rosetta.core.graph.Graph, use_neighbor_context : bool) -> NoneType
- bump_check(...) from builtins.PyCapsule
- bump_check(self : rosetta.core.pack.rotamer_set.RotamerSet_, rotamer : rosetta.core.conformation.Residue, sf : rosetta.core.scoring.ScoreFunction, pose : rosetta.core.pose.Pose, task : rosetta.core.pack.task.PackerTask, packer_neighbor_graph : rosetta.core.graph.Graph) -> float
Computes the "bump energy" of a rotamer: the bump energy is the
sum of rotamer's interactions with 1) the backbone-and-side chains of
neighboring residues that are held fixed during this repacking optimization
and 2) the backbones of neighboring residues that are changable during this
repacking optimization.
- compute_one_body_energies(...) from builtins.PyCapsule
- compute_one_body_energies(self : rosetta.core.pack.rotamer_set.RotamerSet_, pose : rosetta.core.pose.Pose, scorefxn : rosetta.core.scoring.ScoreFunction, task : rosetta.core.pack.task.PackerTask, packer_neighbor_graph : rosetta.core.graph.Graph, energies : rosetta.utility.vector1_float) -> NoneType
Computes the packers "one body energies" for the set of rotamers.
- compute_one_body_energy_maps(...) from builtins.PyCapsule
- compute_one_body_energy_maps(self : rosetta.core.pack.rotamer_set.RotamerSet_, pose : rosetta.core.pose.Pose, scorefxn : rosetta.core.scoring.ScoreFunction, task : rosetta.core.pack.task.PackerTask, packer_neighbor_graph : rosetta.core.graph.Graph, energies : rosetta.utility.vector1_core_scoring_EMapVector) -> NoneType
for OPTE
- drop_rotamer(...) from builtins.PyCapsule
- drop_rotamer(self : rosetta.core.pack.rotamer_set.RotamerSet_, rot_id : int) -> NoneType
removes a single rotamer and causes a rotamer index update
- drop_rotamers(...) from builtins.PyCapsule
- drop_rotamers(self : rosetta.core.pack.rotamer_set.RotamerSet_, rotamers_to_delete : rosetta.utility.vector1_bool) -> NoneType
rotamers_to_delete must be of size nrotmaers -- each position
in the array that's "true" is removed from the set of rotamers
- drop_rotamers_by_index(...) from builtins.PyCapsule
- drop_rotamers_by_index(self : rosetta.core.pack.rotamer_set.RotamerSet_, rotamer_indices_to_delete : rosetta.utility.vector1_unsigned_long) -> NoneType
deletes the rotamers in the list with the given indices.
The indices of these rotamers is presumed to be those before any delete operation.
e.g. if there are four rotamers, and rotamer_indices_to_delete includes 1 & 3,
then the rotamers that will remain are the rotamers originally indexed as 2 and 4,
even though their new indices will be 1 & 2.
- end(...) from builtins.PyCapsule
- end(rosetta.core.pack.rotamer_set.RotamerSet_) -> __gnu_cxx::__normal_iterator<std::shared_ptr<core::conformation::Residue> const*, std::vector<std::shared_ptr<core::conformation::Residue>, std::allocator<std::shared_ptr<core::conformation::Residue> > > >
- get_n_residue_groups(...) from builtins.PyCapsule
- get_n_residue_groups(rosetta.core.pack.rotamer_set.RotamerSet_) -> int
- get_n_residue_types(...) from builtins.PyCapsule
- get_n_residue_types(rosetta.core.pack.rotamer_set.RotamerSet_) -> int
- get_n_rotamers_for_residue_group(...) from builtins.PyCapsule
- get_n_rotamers_for_residue_group(self : rosetta.core.pack.rotamer_set.RotamerSet_, which_resgroup : int) -> int
- get_n_rotamers_for_residue_type(...) from builtins.PyCapsule
- get_n_rotamers_for_residue_type(self : rosetta.core.pack.rotamer_set.RotamerSet_, which_resgroup : int) -> int
- get_residue_group_begin(...) from builtins.PyCapsule
- get_residue_group_begin(self : rosetta.core.pack.rotamer_set.RotamerSet_, which_resgroup : int) -> int
- get_residue_group_index_for_rotamer(...) from builtins.PyCapsule
- get_residue_group_index_for_rotamer(self : rosetta.core.pack.rotamer_set.RotamerSet_, which_rotamer : int) -> int
- get_residue_type_begin(...) from builtins.PyCapsule
- get_residue_type_begin(self : rosetta.core.pack.rotamer_set.RotamerSet_, which_restype : int) -> int
- get_residue_type_index_for_rotamer(...) from builtins.PyCapsule
- get_residue_type_index_for_rotamer(self : rosetta.core.pack.rotamer_set.RotamerSet_, which_rotamer : int) -> int
- get_trie(...) from builtins.PyCapsule
- get_trie(self : rosetta.core.pack.rotamer_set.RotamerSet_, method_enum_id : int) -> rosetta.core.conformation.AbstractRotamerTrie
- id_for_current_rotamer(...) from builtins.PyCapsule
- id_for_current_rotamer(rosetta.core.pack.rotamer_set.RotamerSet_) -> int
- initialize_pose_for_rotset_creation(...) from builtins.PyCapsule
- initialize_pose_for_rotset_creation(self : rosetta.core.pack.rotamer_set.RotamerSet_, : rosetta.core.pose.Pose) -> NoneType
Give the pose a chance to stash any data needed by the _rotset_
need nonconst access to pose
- nonconst_rotamer(...) from builtins.PyCapsule
- nonconst_rotamer(self : rosetta.core.pack.rotamer_set.RotamerSet_, rot_id : int) -> rosetta.core.conformation.Residue
- num_rotamers(...) from builtins.PyCapsule
- num_rotamers(rosetta.core.pack.rotamer_set.RotamerSet_) -> int
- rotamer(...) from builtins.PyCapsule
- rotamer(self : rosetta.core.pack.rotamer_set.RotamerSet_, rot_id : int) -> rosetta.core.conformation.Residue
- rotamer_ref(...) from builtins.PyCapsule
- rotamer_ref(self : rosetta.core.pack.rotamer_set.RotamerSet_, rot_id : int) -> rosetta.core.conformation.Residue
- set_extra_samples(...) from builtins.PyCapsule
- set_extra_samples(self : rosetta.core.pack.rotamer_set.RotamerSet_, task : rosetta.core.pack.task.PackerTask, num_10A_neighbors : int, chi : int, concrete_residue : rosetta.core.chemical.ResidueType, extra_chi_steps : rosetta.utility.vector1_double) -> NoneType
Pushes standard-deviation multiples that should be sampled
for this residue -- if this residue has more neighbors within 10A
than the task-specified cutoff for buriedness, then extra rotamer
samples are added to the extra_chi_steps vector, otherwise, the
vector is not modified.
- store_trie(...) from builtins.PyCapsule
- store_trie(self : rosetta.core.pack.rotamer_set.RotamerSet_, method_enum_id : int, trie : rosetta.core.conformation.AbstractRotamerTrie) -> NoneType
Methods inherited from RotamerSet:
- __str__(...) from builtins.PyCapsule
- __str__(rosetta.core.pack.rotamer_set.RotamerSet) -> str
- assign(...) from builtins.PyCapsule
- assign(self : rosetta.core.pack.rotamer_set.RotamerSet, : rosetta.core.pack.rotamer_set.RotamerSet) -> rosetta.core.pack.rotamer_set.RotamerSet
- resid(...) from builtins.PyCapsule
- resid(rosetta.core.pack.rotamer_set.RotamerSet) -> int
- set_resid(...) from builtins.PyCapsule
- set_resid(self : rosetta.core.pack.rotamer_set.RotamerSet, resid : int) -> NoneType
Methods inherited from rosetta.core.conformation.RotamerSetBase:
- data(...) from builtins.PyCapsule
- data(*args, **kwargs)
Overloaded function.
1. data(rosetta.core.conformation.RotamerSetBase) -> rosetta.basic.datacache.BasicDataCache
BasicDataCache indexed by enum in core/pack/rotamer_set/RotamerSetCacheableDataType.hh
2. data(rosetta.core.conformation.RotamerSetBase) -> rosetta.basic.datacache.BasicDataCache
BasicDataCache indexed by enum in core/pack/rotamer_set/RotamerSetCacheableDataType.hh
|
class RotamerSets(FixbbRotamerSets) |
| | |
- Method resolution order:
- RotamerSets
- FixbbRotamerSets
- RotamerSetsBase
- builtins.object
Methods defined here:
- __init__(...) from builtins.PyCapsule
- __init__(*args, **kwargs)
Overloaded function.
1. __init__(handle) -> NoneType
2. __init__(handle, rosetta.core.pack.rotamer_set.RotamerSets) -> NoneType
- __new__(*args, **kwargs) from builtins.type
- Create and return a new object. See help(type) for accurate signature.
- assign(...) from builtins.PyCapsule
- assign(self : rosetta.core.pack.rotamer_set.RotamerSets, : rosetta.core.pack.rotamer_set.RotamerSets) -> rosetta.core.pack.rotamer_set.RotamerSets
- begin(...) from builtins.PyCapsule
- begin(rosetta.core.pack.rotamer_set.RotamerSets) -> __gnu_cxx::__normal_iterator<std::shared_ptr<core::pack::rotamer_set::RotamerSet> const*, std::vector<std::shared_ptr<core::pack::rotamer_set::RotamerSet>, std::allocator<std::shared_ptr<core::pack::rotamer_set::RotamerSet> > > >
- build_rotamers(...) from builtins.PyCapsule
- build_rotamers(self : rosetta.core.pack.rotamer_set.RotamerSets, pose : rosetta.core.pose.Pose, scfxn : rosetta.core.scoring.ScoreFunction, packer_neighbor_graph : rosetta.core.graph.Graph) -> NoneType
- compute_energies(...) from builtins.PyCapsule
- compute_energies(self : rosetta.core.pack.rotamer_set.RotamerSets, pose : rosetta.core.pose.Pose, scfxn : rosetta.core.scoring.ScoreFunction, packer_neighbor_graph : rosetta.core.graph.Graph, ig : core::pack::interaction_graph::InteractionGraphBase) -> NoneType
Precompute all rotamer pair and rotamer one-body energies, populating
the given interaction graph.
- compute_one_body_energies(...) from builtins.PyCapsule
- compute_one_body_energies(self : rosetta.core.pack.rotamer_set.RotamerSets, pose : rosetta.core.pose.Pose, scfxn : rosetta.core.scoring.ScoreFunction, packer_neighbor_graph : rosetta.core.graph.Graph, ig : core::pack::interaction_graph::InteractionGraphBase) -> NoneType
Precompute all rotamer one-body energies, populating the given
interaction graph.
- dump_pdb(...) from builtins.PyCapsule
- dump_pdb(self : rosetta.core.pack.rotamer_set.RotamerSets, pose : rosetta.core.pose.Pose, filename : str) -> NoneType
- end(...) from builtins.PyCapsule
- end(rosetta.core.pack.rotamer_set.RotamerSets) -> __gnu_cxx::__normal_iterator<std::shared_ptr<core::pack::rotamer_set::RotamerSet> const*, std::vector<std::shared_ptr<core::pack::rotamer_set::RotamerSet>, std::allocator<std::shared_ptr<core::pack::rotamer_set::RotamerSet> > > >
- get_bb_bbE(...) from builtins.PyCapsule
- get_bb_bbE(pose : rosetta.core.pose.Pose, scfxn : rosetta.core.scoring.ScoreFunction, res1 : rosetta.core.conformation.Residue, res2 : rosetta.core.conformation.Residue) -> float
- get_sc_bbE(...) from builtins.PyCapsule
- get_sc_bbE(pose : rosetta.core.pose.Pose, scfxn : rosetta.core.scoring.ScoreFunction, res1 : rosetta.core.conformation.Residue, res2 : rosetta.core.conformation.Residue) -> float
- initialize_pose_for_rotsets_creation(...) from builtins.PyCapsule
- initialize_pose_for_rotsets_creation(self : rosetta.core.pack.rotamer_set.RotamerSets, : rosetta.core.pose.Pose) -> NoneType
Give the pose a chance to stash any data needed by the _rotset_
need nonconst access to pose
- moltenres_2_resid(...) from builtins.PyCapsule
- moltenres_2_resid(self : rosetta.core.pack.rotamer_set.RotamerSets, : int) -> int
- moltenres_2_resid_vector(...) from builtins.PyCapsule
- moltenres_2_resid_vector(rosetta.core.pack.rotamer_set.RotamerSets) -> rosetta.utility.vector1_unsigned_long
- moltenres_for_rotamer(...) from builtins.PyCapsule
- moltenres_for_rotamer(self : rosetta.core.pack.rotamer_set.RotamerSets, : int) -> int
- moltenres_rotid_2_rotid(...) from builtins.PyCapsule
- moltenres_rotid_2_rotid(self : rosetta.core.pack.rotamer_set.RotamerSets, moltenres : int, moltenresrotid : int) -> int
convert moltenres rotid to id in full rotamer enumeration
- nmoltenres(...) from builtins.PyCapsule
- nmoltenres(rosetta.core.pack.rotamer_set.RotamerSets) -> int
- nrotamer_offset_for_moltenres(...) from builtins.PyCapsule
- nrotamer_offset_for_moltenres(self : rosetta.core.pack.rotamer_set.RotamerSets, : int) -> int
- nrotamers(...) from builtins.PyCapsule
- nrotamers(rosetta.core.pack.rotamer_set.RotamerSets) -> int
- nrotamers_for_moltenres(...) from builtins.PyCapsule
- nrotamers_for_moltenres(self : rosetta.core.pack.rotamer_set.RotamerSets, : int) -> int
- precompute_two_body_energies(...) from builtins.PyCapsule
- precompute_two_body_energies(*args, **kwargs)
Overloaded function.
1. precompute_two_body_energies(self : rosetta.core.pack.rotamer_set.RotamerSets, pose : rosetta.core.pose.Pose, scfxn : rosetta.core.scoring.ScoreFunction, packer_neighbor_graph : rosetta.core.graph.Graph, pig : core::pack::interaction_graph::PrecomputedPairEnergiesInteractionGraph) -> NoneType
Precompute all rotamer pair energies between neighboring RotamerSets (residues)
populating the given interaction graph.
Public so it can be used by the GreenPacker.
2. precompute_two_body_energies(self : rosetta.core.pack.rotamer_set.RotamerSets, pose : rosetta.core.pose.Pose, scfxn : rosetta.core.scoring.ScoreFunction, packer_neighbor_graph : rosetta.core.graph.Graph, pig : core::pack::interaction_graph::PrecomputedPairEnergiesInteractionGraph, finalize_edges : bool) -> NoneType
Precompute all rotamer pair energies between neighboring RotamerSets (residues)
populating the given interaction graph.
Public so it can be used by the GreenPacker.
- prepare_sets_for_packing(...) from builtins.PyCapsule
- prepare_sets_for_packing(self : rosetta.core.pack.rotamer_set.RotamerSets, pose : rosetta.core.pose.Pose, : rosetta.core.scoring.ScoreFunction) -> NoneType
- res_for_rotamer(...) from builtins.PyCapsule
- res_for_rotamer(self : rosetta.core.pack.rotamer_set.RotamerSets, : int) -> int
- resid_2_moltenres(...) from builtins.PyCapsule
- resid_2_moltenres(self : rosetta.core.pack.rotamer_set.RotamerSets, : int) -> int
- resid_2_moltenres_vector(...) from builtins.PyCapsule
- resid_2_moltenres_vector(rosetta.core.pack.rotamer_set.RotamerSets) -> rosetta.utility.vector1_unsigned_long
- rotamer(...) from builtins.PyCapsule
- rotamer(self : rosetta.core.pack.rotamer_set.RotamerSets, : int) -> rosetta.core.conformation.Residue
- rotamer_for_moltenres(...) from builtins.PyCapsule
- rotamer_for_moltenres(self : rosetta.core.pack.rotamer_set.RotamerSets, moltenres_id : int, rotamerid : int) -> rosetta.core.conformation.Residue
- rotamer_set_for_moltenresidue(...) from builtins.PyCapsule
- rotamer_set_for_moltenresidue(*args, **kwargs)
Overloaded function.
1. rotamer_set_for_moltenresidue(self : rosetta.core.pack.rotamer_set.RotamerSets, moltenresid : int) -> core::pack::rotamer_set::RotamerSet
2. rotamer_set_for_moltenresidue(self : rosetta.core.pack.rotamer_set.RotamerSets, moltenresid : int) -> core::pack::rotamer_set::RotamerSet
- rotamer_set_for_residue(...) from builtins.PyCapsule
- rotamer_set_for_residue(*args, **kwargs)
Overloaded function.
1. rotamer_set_for_residue(self : rosetta.core.pack.rotamer_set.RotamerSets, resid : int) -> core::pack::rotamer_set::RotamerSet
2. rotamer_set_for_residue(self : rosetta.core.pack.rotamer_set.RotamerSets, resid : int) -> core::pack::rotamer_set::RotamerSet
- rotid_on_moltenresidue(...) from builtins.PyCapsule
- rotid_on_moltenresidue(self : rosetta.core.pack.rotamer_set.RotamerSets, rotid : int) -> int
convert rotid in full rotamer enumeration into rotamer id on its source residue
- set_task(...) from builtins.PyCapsule
- set_task(self : rosetta.core.pack.rotamer_set.RotamerSets, task : core::pack::task::PackerTask) -> NoneType
- task(...) from builtins.PyCapsule
- task(rosetta.core.pack.rotamer_set.RotamerSets) -> core::pack::task::PackerTask
access to packer_task_
- total_residue(...) from builtins.PyCapsule
- total_residue(rosetta.core.pack.rotamer_set.RotamerSets) -> int
Methods inherited from RotamerSetsBase:
- __str__(...) from builtins.PyCapsule
- __str__(rosetta.core.pack.rotamer_set.RotamerSetsBase) -> str
|
class RotamerSetsBase(builtins.object) |
| | |
Methods defined here:
- __init__(self, /, *args, **kwargs)
- Initialize self. See help(type(self)) for accurate signature.
- __new__(*args, **kwargs) from builtins.type
- Create and return a new object. See help(type) for accurate signature.
- __str__(...) from builtins.PyCapsule
- __str__(rosetta.core.pack.rotamer_set.RotamerSetsBase) -> str
- assign(...) from builtins.PyCapsule
- assign(self : rosetta.core.pack.rotamer_set.RotamerSetsBase, : rosetta.core.pack.rotamer_set.RotamerSetsBase) -> rosetta.core.pack.rotamer_set.RotamerSetsBase
- initialize_pose_for_rotsets_creation(...) from builtins.PyCapsule
- initialize_pose_for_rotsets_creation(self : rosetta.core.pack.rotamer_set.RotamerSetsBase, pose : rosetta.core.pose.Pose) -> NoneType
Give the pose a chance to stash any data needed by the _rotset_
need nonconst access to pose
- moltenres_2_resid(...) from builtins.PyCapsule
- moltenres_2_resid(self : rosetta.core.pack.rotamer_set.RotamerSetsBase, : int) -> int
- moltenres_for_rotamer(...) from builtins.PyCapsule
- moltenres_for_rotamer(self : rosetta.core.pack.rotamer_set.RotamerSetsBase, : int) -> int
- moltenres_rotid_2_rotid(...) from builtins.PyCapsule
- moltenres_rotid_2_rotid(self : rosetta.core.pack.rotamer_set.RotamerSetsBase, moltenres : int, moltenresrotid : int) -> int
convert moltenres rotid to id in full rotamer enumeration
- nmoltenres(...) from builtins.PyCapsule
- nmoltenres(rosetta.core.pack.rotamer_set.RotamerSetsBase) -> int
- nrotamer_offset_for_moltenres(...) from builtins.PyCapsule
- nrotamer_offset_for_moltenres(self : rosetta.core.pack.rotamer_set.RotamerSetsBase, : int) -> int
- nrotamers(...) from builtins.PyCapsule
- nrotamers(rosetta.core.pack.rotamer_set.RotamerSetsBase) -> int
- nrotamers_for_moltenres(...) from builtins.PyCapsule
- nrotamers_for_moltenres(self : rosetta.core.pack.rotamer_set.RotamerSetsBase, : int) -> int
- res_for_rotamer(...) from builtins.PyCapsule
- res_for_rotamer(self : rosetta.core.pack.rotamer_set.RotamerSetsBase, : int) -> int
- resid_2_moltenres(...) from builtins.PyCapsule
- resid_2_moltenres(self : rosetta.core.pack.rotamer_set.RotamerSetsBase, : int) -> int
- rotamer(...) from builtins.PyCapsule
- rotamer(self : rosetta.core.pack.rotamer_set.RotamerSetsBase, : int) -> rosetta.core.conformation.Residue
- rotamer_for_moltenres(...) from builtins.PyCapsule
- rotamer_for_moltenres(self : rosetta.core.pack.rotamer_set.RotamerSetsBase, moltenres_id : int, rotamerid : int) -> rosetta.core.conformation.Residue
- rotid_on_moltenresidue(...) from builtins.PyCapsule
- rotid_on_moltenresidue(self : rosetta.core.pack.rotamer_set.RotamerSetsBase, rotid : int) -> int
convert rotid in full rotamer enumeration into rotamer id on its source residue
- total_residue(...) from builtins.PyCapsule
- total_residue(rosetta.core.pack.rotamer_set.RotamerSetsBase) -> int
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class RotamerSubset(RotamerSet) |
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Container for a subset of rotamers that have been created
by another rotamer set. This subset object copies pointers to
the rotamers contained in another set, as opposed to cloning the
rotamers. It's main purpose is to manage the bookkeeping involved
in packing with a subset of rotamers (when it might be faster
to use a subset and to create an interaction graph specifically
for that subset than to simply pass an abreviated list of rotamers
to the SimAnnealer with the "rot_to_pack" vector).
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- Method resolution order:
- RotamerSubset
- RotamerSet
- rosetta.core.conformation.RotamerSetBase
- builtins.object
Methods defined here:
- __init__(...) from builtins.PyCapsule
- __init__(self : handle, rotset : rosetta.core.pack.rotamer_set.RotamerSet, rotamer_subset : rosetta.utility.vector1_unsigned_long) -> NoneType
- __new__(*args, **kwargs) from builtins.type
- Create and return a new object. See help(type) for accurate signature.
- add_rotamer(...) from builtins.PyCapsule
- add_rotamer(self : rosetta.core.pack.rotamer_set.RotamerSubset, rotamer : rosetta.core.conformation.Residue) -> NoneType
- assign(...) from builtins.PyCapsule
- assign(self : rosetta.core.pack.rotamer_set.RotamerSubset, : rosetta.core.pack.rotamer_set.RotamerSubset) -> rosetta.core.pack.rotamer_set.RotamerSubset
- begin(...) from builtins.PyCapsule
- begin(rosetta.core.pack.rotamer_set.RotamerSubset) -> __gnu_cxx::__normal_iterator<std::shared_ptr<core::conformation::Residue> const*, std::vector<std::shared_ptr<core::conformation::Residue>, std::allocator<std::shared_ptr<core::conformation::Residue> > > >
- build_dependent_rotamers(...) from builtins.PyCapsule
- build_dependent_rotamers(self : rosetta.core.pack.rotamer_set.RotamerSubset, rotamer_sets : rosetta.core.pack.rotamer_set.RotamerSets, pose : rosetta.core.pose.Pose, scorefxn : rosetta.core.scoring.ScoreFunction, task : rosetta.core.pack.task.PackerTask, packer_neighbor_graph : rosetta.core.graph.Graph) -> NoneType
- build_rotamers(...) from builtins.PyCapsule
- build_rotamers(*args, **kwargs)
Overloaded function.
1. build_rotamers(self : rosetta.core.pack.rotamer_set.RotamerSubset, the_pose : rosetta.core.pose.Pose, scorefxn : rosetta.core.scoring.ScoreFunction, task : rosetta.core.pack.task.PackerTask, packer_neighbor_graph : rosetta.core.graph.Graph) -> NoneType
2. build_rotamers(self : rosetta.core.pack.rotamer_set.RotamerSubset, the_pose : rosetta.core.pose.Pose, scorefxn : rosetta.core.scoring.ScoreFunction, task : rosetta.core.pack.task.PackerTask, packer_neighbor_graph : rosetta.core.graph.Graph, use_neighbor_context : bool) -> NoneType
- compute_one_body_energies(...) from builtins.PyCapsule
- compute_one_body_energies(self : rosetta.core.pack.rotamer_set.RotamerSubset, pose : rosetta.core.pose.Pose, scorefxn : rosetta.core.scoring.ScoreFunction, task : rosetta.core.pack.task.PackerTask, packer_neighbor_graph : rosetta.core.graph.Graph, energies : rosetta.utility.vector1_float) -> NoneType
- compute_one_body_energy_maps(...) from builtins.PyCapsule
- compute_one_body_energy_maps(self : rosetta.core.pack.rotamer_set.RotamerSubset, pose : rosetta.core.pose.Pose, scorefxn : rosetta.core.scoring.ScoreFunction, task : rosetta.core.pack.task.PackerTask, packer_neighbor_graph : rosetta.core.graph.Graph, energies : rosetta.utility.vector1_core_scoring_EMapVector) -> NoneType
for OptE
- drop_rotamer(...) from builtins.PyCapsule
- drop_rotamer(self : rosetta.core.pack.rotamer_set.RotamerSubset, rot_id : int) -> NoneType
removes a single rotamer and causes a rotamer index update
- drop_rotamers(...) from builtins.PyCapsule
- drop_rotamers(self : rosetta.core.pack.rotamer_set.RotamerSubset, rotamers_to_delete : rosetta.utility.vector1_bool) -> NoneType
rotamers_to_delete must be of size nrotmaers -- each position
in the array that's "true" is removed from the set of rotamers
- drop_rotamers_by_index(...) from builtins.PyCapsule
- drop_rotamers_by_index(self : rosetta.core.pack.rotamer_set.RotamerSubset, rotamer_indices_to_delete : rosetta.utility.vector1_unsigned_long) -> NoneType
deletes the rotamers in the list with the given indices.
The indices of these rotamers is presumed to be those before any delete operation.
e.g. if there are four rotamers, and rotamer_indices_to_delete includes 1 & 3,
then the rotamers that will remain are the rotamers originally indexed as 2 and 4,
even though their new indices will be 1 & 2.
- end(...) from builtins.PyCapsule
- end(rosetta.core.pack.rotamer_set.RotamerSubset) -> __gnu_cxx::__normal_iterator<std::shared_ptr<core::conformation::Residue> const*, std::vector<std::shared_ptr<core::conformation::Residue>, std::allocator<std::shared_ptr<core::conformation::Residue> > > >
- get_n_residue_groups(...) from builtins.PyCapsule
- get_n_residue_groups(rosetta.core.pack.rotamer_set.RotamerSubset) -> int
- get_n_residue_types(...) from builtins.PyCapsule
- get_n_residue_types(rosetta.core.pack.rotamer_set.RotamerSubset) -> int
- get_n_rotamers_for_residue_group(...) from builtins.PyCapsule
- get_n_rotamers_for_residue_group(self : rosetta.core.pack.rotamer_set.RotamerSubset, which_resgroup : int) -> int
- get_n_rotamers_for_residue_type(...) from builtins.PyCapsule
- get_n_rotamers_for_residue_type(self : rosetta.core.pack.rotamer_set.RotamerSubset, which_restype : int) -> int
- get_residue_group_begin(...) from builtins.PyCapsule
- get_residue_group_begin(self : rosetta.core.pack.rotamer_set.RotamerSubset, which_resgroup : int) -> int
- get_residue_group_index_for_rotamer(...) from builtins.PyCapsule
- get_residue_group_index_for_rotamer(self : rosetta.core.pack.rotamer_set.RotamerSubset, which_rotamer : int) -> int
- get_residue_type_begin(...) from builtins.PyCapsule
- get_residue_type_begin(self : rosetta.core.pack.rotamer_set.RotamerSubset, which_restype : int) -> int
- get_residue_type_index_for_rotamer(...) from builtins.PyCapsule
- get_residue_type_index_for_rotamer(self : rosetta.core.pack.rotamer_set.RotamerSubset, which_rotamer : int) -> int
given a rotamer id, return an int which represents a type for this rotamer.
- get_trie(...) from builtins.PyCapsule
- get_trie(self : rosetta.core.pack.rotamer_set.RotamerSubset, method_enum_id : int) -> rosetta.core.conformation.AbstractRotamerTrie
- id_for_current_rotamer(...) from builtins.PyCapsule
- id_for_current_rotamer(rosetta.core.pack.rotamer_set.RotamerSubset) -> int
- initialize_pose_for_rotset_creation(...) from builtins.PyCapsule
- initialize_pose_for_rotset_creation(self : rosetta.core.pack.rotamer_set.RotamerSubset, : rosetta.core.pose.Pose) -> NoneType
Give the pose a chance to stash any data needed by the _rotset_
need nonconst access to pose
- nonconst_rotamer(...) from builtins.PyCapsule
- nonconst_rotamer(self : rosetta.core.pack.rotamer_set.RotamerSubset, rot_id : int) -> rosetta.core.conformation.Residue
- num_rotamers(...) from builtins.PyCapsule
- num_rotamers(rosetta.core.pack.rotamer_set.RotamerSubset) -> int
- rotamer(...) from builtins.PyCapsule
- rotamer(self : rosetta.core.pack.rotamer_set.RotamerSubset, rot_id : int) -> rosetta.core.conformation.Residue
- rotamer_ref(...) from builtins.PyCapsule
- rotamer_ref(self : rosetta.core.pack.rotamer_set.RotamerSubset, rot_id : int) -> rosetta.core.conformation.Residue
- store_trie(...) from builtins.PyCapsule
- store_trie(self : rosetta.core.pack.rotamer_set.RotamerSubset, method_enum_id : int, trie : rosetta.core.conformation.AbstractRotamerTrie) -> NoneType
Methods inherited from RotamerSet:
- __str__(...) from builtins.PyCapsule
- __str__(rosetta.core.pack.rotamer_set.RotamerSet) -> str
- resid(...) from builtins.PyCapsule
- resid(rosetta.core.pack.rotamer_set.RotamerSet) -> int
- set_resid(...) from builtins.PyCapsule
- set_resid(self : rosetta.core.pack.rotamer_set.RotamerSet, resid : int) -> NoneType
Methods inherited from rosetta.core.conformation.RotamerSetBase:
- data(...) from builtins.PyCapsule
- data(*args, **kwargs)
Overloaded function.
1. data(rosetta.core.conformation.RotamerSetBase) -> rosetta.basic.datacache.BasicDataCache
BasicDataCache indexed by enum in core/pack/rotamer_set/RotamerSetCacheableDataType.hh
2. data(rosetta.core.conformation.RotamerSetBase) -> rosetta.basic.datacache.BasicDataCache
BasicDataCache indexed by enum in core/pack/rotamer_set/RotamerSetCacheableDataType.hh
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class RotamerSubsets(FixbbRotamerSets) |
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- Method resolution order:
- RotamerSubsets
- FixbbRotamerSets
- RotamerSetsBase
- builtins.object
Methods defined here:
- __init__(...) from builtins.PyCapsule
- __init__(self : handle, source : rosetta.core.pack.rotamer_set.FixbbRotamerSets, rotamer_subset : rosetta.utility.vector0_int) -> NoneType
- __new__(*args, **kwargs) from builtins.type
- Create and return a new object. See help(type) for accurate signature.
- assign(...) from builtins.PyCapsule
- assign(self : rosetta.core.pack.rotamer_set.RotamerSubsets, : rosetta.core.pack.rotamer_set.RotamerSubsets) -> rosetta.core.pack.rotamer_set.RotamerSubsets
- begin(...) from builtins.PyCapsule
- begin(rosetta.core.pack.rotamer_set.RotamerSubsets) -> __gnu_cxx::__normal_iterator<std::shared_ptr<core::pack::rotamer_set::RotamerSet> const*, std::vector<std::shared_ptr<core::pack::rotamer_set::RotamerSet>, std::allocator<std::shared_ptr<core::pack::rotamer_set::RotamerSet> > > >
- end(...) from builtins.PyCapsule
- end(rosetta.core.pack.rotamer_set.RotamerSubsets) -> __gnu_cxx::__normal_iterator<std::shared_ptr<core::pack::rotamer_set::RotamerSet> const*, std::vector<std::shared_ptr<core::pack::rotamer_set::RotamerSet>, std::allocator<std::shared_ptr<core::pack::rotamer_set::RotamerSet> > > >
- initialize_pose_for_rotsets_creation(...) from builtins.PyCapsule
- initialize_pose_for_rotsets_creation(self : rosetta.core.pack.rotamer_set.RotamerSubsets, : rosetta.core.pose.Pose) -> NoneType
Give the pose a chance to stash any data needed by the _rotset_
need nonconst access to pose
- moltenres_2_resid(...) from builtins.PyCapsule
- moltenres_2_resid(self : rosetta.core.pack.rotamer_set.RotamerSubsets, : int) -> int
- moltenres_for_rotamer(...) from builtins.PyCapsule
- moltenres_for_rotamer(self : rosetta.core.pack.rotamer_set.RotamerSubsets, : int) -> int
- moltenres_rotid_2_rotid(...) from builtins.PyCapsule
- moltenres_rotid_2_rotid(self : rosetta.core.pack.rotamer_set.RotamerSubsets, moltenres : int, moltenresrotid : int) -> int
convert moltenres rotid to id in full rotamer enumeration
- nmoltenres(...) from builtins.PyCapsule
- nmoltenres(rosetta.core.pack.rotamer_set.RotamerSubsets) -> int
- nrotamer_offset_for_moltenres(...) from builtins.PyCapsule
- nrotamer_offset_for_moltenres(self : rosetta.core.pack.rotamer_set.RotamerSubsets, : int) -> int
- nrotamers(...) from builtins.PyCapsule
- nrotamers(rosetta.core.pack.rotamer_set.RotamerSubsets) -> int
- nrotamers_for_moltenres(...) from builtins.PyCapsule
- nrotamers_for_moltenres(self : rosetta.core.pack.rotamer_set.RotamerSubsets, : int) -> int
- res_for_rotamer(...) from builtins.PyCapsule
- res_for_rotamer(self : rosetta.core.pack.rotamer_set.RotamerSubsets, : int) -> int
- resid_2_moltenres(...) from builtins.PyCapsule
- resid_2_moltenres(self : rosetta.core.pack.rotamer_set.RotamerSubsets, : int) -> int
- rotamer(...) from builtins.PyCapsule
- rotamer(self : rosetta.core.pack.rotamer_set.RotamerSubsets, : int) -> rosetta.core.conformation.Residue
- rotamer_for_moltenres(...) from builtins.PyCapsule
- rotamer_for_moltenres(self : rosetta.core.pack.rotamer_set.RotamerSubsets, moltenres_id : int, rotamerid : int) -> rosetta.core.conformation.Residue
- rotamer_set_for_moltenresidue(...) from builtins.PyCapsule
- rotamer_set_for_moltenresidue(*args, **kwargs)
Overloaded function.
1. rotamer_set_for_moltenresidue(self : rosetta.core.pack.rotamer_set.RotamerSubsets, moltenresid : int) -> rosetta.core.pack.rotamer_set.RotamerSet
2. rotamer_set_for_moltenresidue(self : rosetta.core.pack.rotamer_set.RotamerSubsets, moltenresid : int) -> rosetta.core.pack.rotamer_set.RotamerSet
- rotamer_set_for_residue(...) from builtins.PyCapsule
- rotamer_set_for_residue(*args, **kwargs)
Overloaded function.
1. rotamer_set_for_residue(self : rosetta.core.pack.rotamer_set.RotamerSubsets, resid : int) -> rosetta.core.pack.rotamer_set.RotamerSet
2. rotamer_set_for_residue(self : rosetta.core.pack.rotamer_set.RotamerSubsets, resid : int) -> rosetta.core.pack.rotamer_set.RotamerSet
- rotid_on_moltenresidue(...) from builtins.PyCapsule
- rotid_on_moltenresidue(self : rosetta.core.pack.rotamer_set.RotamerSubsets, rotid : int) -> int
convert rotid in full rotamer enumeration into rotamer id on its source residue
- total_residue(...) from builtins.PyCapsule
- total_residue(rosetta.core.pack.rotamer_set.RotamerSubsets) -> int
Methods inherited from FixbbRotamerSets:
- moltenres_2_resid_vector(...) from builtins.PyCapsule
- moltenres_2_resid_vector(rosetta.core.pack.rotamer_set.FixbbRotamerSets) -> rosetta.utility.vector1_unsigned_long
- resid_2_moltenres_vector(...) from builtins.PyCapsule
- resid_2_moltenres_vector(rosetta.core.pack.rotamer_set.FixbbRotamerSets) -> rosetta.utility.vector1_unsigned_long
Methods inherited from RotamerSetsBase:
- __str__(...) from builtins.PyCapsule
- __str__(rosetta.core.pack.rotamer_set.RotamerSetsBase) -> str
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class UnboundRotamersOperation(RotamerSetOperation) |
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Adds in rotamers from the "unbound" or native structure(s),
pulled from one or more PDBs supplied on the command line.
Sequence numbering matters -- rotamers will only be added
if sequence numbers match AND the ResidueType is allowed by the PackerTask.
By itself, this class does NOT grant a Dunbrack energy bonus to the native rotamer(s).
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- Method resolution order:
- UnboundRotamersOperation
- RotamerSetOperation
- builtins.object
Methods defined here:
- __init__(...) from builtins.PyCapsule
- __init__(handle) -> NoneType
- __new__(*args, **kwargs) from builtins.type
- Create and return a new object. See help(type) for accurate signature.
- add_pose(...) from builtins.PyCapsule
- add_pose(self : rosetta.core.pack.rotamer_set.UnboundRotamersOperation, pose : rosetta.core.pose.Pose) -> NoneType
Adds rotamers from the specified pose to the unbound collection.
- alter_rotamer_set(...) from builtins.PyCapsule
- alter_rotamer_set(self : rosetta.core.pack.rotamer_set.UnboundRotamersOperation, pose : rosetta.core.pose.Pose, sfxn : rosetta.core.scoring.ScoreFunction, ptask : rosetta.core.pack.task.PackerTask, packer_neighbor_graph : rosetta.core.graph.Graph, rotamer_set : rosetta.core.pack.rotamer_set.RotamerSet) -> NoneType
- assign(...) from builtins.PyCapsule
- assign(self : rosetta.core.pack.rotamer_set.UnboundRotamersOperation, : rosetta.core.pack.rotamer_set.UnboundRotamersOperation) -> rosetta.core.pack.rotamer_set.UnboundRotamersOperation
- clone(...) from builtins.PyCapsule
- clone(rosetta.core.pack.rotamer_set.UnboundRotamersOperation) -> rosetta.core.pack.rotamer_set.RotamerSetOperation
- initialize_from_command_line(...) from builtins.PyCapsule
- initialize_from_command_line(rosetta.core.pack.rotamer_set.UnboundRotamersOperation) -> NoneType
Loads poses from the -unboundrot flag.
- total_residue(...) from builtins.PyCapsule
- total_residue(rosetta.core.pack.rotamer_set.UnboundRotamersOperation) -> int
Methods inherited from RotamerSetOperation:
- increase_packer_residue_radius(...) from builtins.PyCapsule
- increase_packer_residue_radius(self : rosetta.core.pack.rotamer_set.RotamerSetOperation, pose : rosetta.core.pose.Pose, the_task : rosetta.core.pack.task.PackerTask, residue_in : int) -> float
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class WaterAnchorInfo(builtins.object) |
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Methods defined here:
- __init__(...) from builtins.PyCapsule
- __init__(*args, **kwargs)
Overloaded function.
1. __init__(rosetta.core.pack.rotamer_set.WaterAnchorInfo) -> NoneType
2. __init__(self : rosetta.core.pack.rotamer_set.WaterAnchorInfo, : rosetta.core.pack.rotamer_set.WaterAnchorInfo) -> NoneType
- __new__(*args, **kwargs) from builtins.type
- Create and return a new object. See help(type) for accurate signature.
- aa(...) from builtins.PyCapsule
- aa(self : rosetta.core.pack.rotamer_set.WaterAnchorInfo, aa_in : rosetta.core.chemical.AA) -> NoneType
- anchor_atom(...) from builtins.PyCapsule
- anchor_atom(*args, **kwargs)
Overloaded function.
1. anchor_atom(self : rosetta.core.pack.rotamer_set.WaterAnchorInfo, type : rosetta.core.chemical.ResidueType) -> int
2. anchor_atom(self : rosetta.core.pack.rotamer_set.WaterAnchorInfo, name : str) -> NoneType
- anchor_residue(...) from builtins.PyCapsule
- anchor_residue(*args, **kwargs)
Overloaded function.
1. anchor_residue(rosetta.core.pack.rotamer_set.WaterAnchorInfo) -> int
2. anchor_residue(self : rosetta.core.pack.rotamer_set.WaterAnchorInfo, rsd : int) -> NoneType
- assign(...) from builtins.PyCapsule
- assign(self : rosetta.core.pack.rotamer_set.WaterAnchorInfo, : rosetta.core.pack.rotamer_set.WaterAnchorInfo) -> rosetta.core.pack.rotamer_set.WaterAnchorInfo
- attaches_to_residue_type(...) from builtins.PyCapsule
- attaches_to_residue_type(self : rosetta.core.pack.rotamer_set.WaterAnchorInfo, type : rosetta.core.chemical.ResidueType) -> bool
- nstep(...) from builtins.PyCapsule
- nstep(*args, **kwargs)
Overloaded function.
1. nstep(rosetta.core.pack.rotamer_set.WaterAnchorInfo) -> int
2. nstep(self : rosetta.core.pack.rotamer_set.WaterAnchorInfo, nstep_in : int) -> NoneType
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