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- builtins.object
-
- SingleResidueRotamerLibrary
-
- SingleBasicRotamerLibrary
- SingleLigandRotamerLibrary
- SingleResiduePeptoidLibrary
- SingleResidueRotamerLibraryCreator
-
- SingleBasicRotamerLibraryCreator
- SingleLigandRotamerLibraryCreator
- SingleNCAARotamerLibraryCreator
- SingleResiduePeptoidLibraryCreator
- StoredRotamerLibraryCreator
- rosetta.utility.SingletonBase_core_pack_rotamers_SingleResidueRotamerLibraryFactory_t(builtins.object)
-
- SingleResidueRotamerLibraryFactory
class SingleBasicRotamerLibrary(SingleResidueRotamerLibrary) |
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A simple Rotamer library, which serves as a default for ResidueTypes which don't have some other
more specific rotamer library.
In practice just diversifies the proton chi records.
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- Method resolution order:
- SingleBasicRotamerLibrary
- SingleResidueRotamerLibrary
- 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.
- assign(...) from builtins.PyCapsule
- assign(self : rosetta.core.pack.rotamers.SingleBasicRotamerLibrary, : rosetta.core.pack.rotamers.SingleBasicRotamerLibrary) -> rosetta.core.pack.rotamers.SingleBasicRotamerLibrary
- assign_random_rotamer_with_bias(...) from builtins.PyCapsule
- assign_random_rotamer_with_bias(self : rosetta.core.pack.rotamers.SingleBasicRotamerLibrary, : rosetta.core.conformation.Residue, : rosetta.core.pose.Pose, : rosetta.core.pack.dunbrack.RotamerLibraryScratchSpace, : rosetta.numeric.random.RandomGenerator, : rosetta.utility.vector1_double, : bool) -> NoneType
- best_rotamer_energy(...) from builtins.PyCapsule
- best_rotamer_energy(self : rosetta.core.pack.rotamers.SingleBasicRotamerLibrary, rsd : rosetta.core.conformation.Residue, curr_rotamer_only : bool, scratch : rosetta.core.pack.dunbrack.RotamerLibraryScratchSpace) -> float
- fill_rotamer_vector(...) from builtins.PyCapsule
- fill_rotamer_vector(self : rosetta.core.pack.rotamers.SingleBasicRotamerLibrary, pose : rosetta.core.pose.Pose, scorefxn : rosetta.core.scoring.ScoreFunction, task : rosetta.core.pack.task.PackerTask, : rosetta.core.graph.Graph, concrete_residue : rosetta.core.chemical.ResidueType, existing_residue : rosetta.core.conformation.Residue, extra_chi_steps : rosetta.utility.vector1_utility_vector1_double_std_allocator_double_t, buried : bool, rotamers : rosetta.utility.vector1_std_shared_ptr_core_conformation_Residue_t) -> NoneType
Adheres to the contract from SingleBasicRotamerLibrary
- rotamer_energy(...) from builtins.PyCapsule
- rotamer_energy(self : rosetta.core.pack.rotamers.SingleBasicRotamerLibrary, rsd : rosetta.core.conformation.Residue, scratch : rosetta.core.pack.dunbrack.RotamerLibraryScratchSpace) -> float
Adheres to the contract from SingleBasicRotamerLibrary
- rotamer_energy_deriv(...) from builtins.PyCapsule
- rotamer_energy_deriv(self : rosetta.core.pack.rotamers.SingleBasicRotamerLibrary, rsd : rosetta.core.conformation.Residue, scratch : rosetta.core.pack.dunbrack.RotamerLibraryScratchSpace) -> float
Adheres to the contract from SingleBasicRotamerLibrary
- write_to_file(...) from builtins.PyCapsule
- write_to_file(self : rosetta.core.pack.rotamers.SingleBasicRotamerLibrary, out : rosetta.utility.io.ozstream) -> NoneType
Adheres to the contract from SingleBasicRotamerLibrary
Methods inherited from SingleResidueRotamerLibrary:
- __eq__(...) from builtins.PyCapsule
- __eq__(self : rosetta.core.pack.rotamers.SingleResidueRotamerLibrary, : rosetta.core.pack.rotamers.SingleResidueRotamerLibrary) -> bool
Equality test for equivalence.
Two SingleResidueRotamerLibraries test equal if and only if they represent the exact same behavior
- bump_check(...) from builtins.PyCapsule
- bump_check(self : rosetta.core.pack.rotamers.SingleResidueRotamerLibrary, rotamer : rosetta.core.conformation.Residue, resid : int, sf : rosetta.core.scoring.ScoreFunction, pose : rosetta.core.pose.Pose, task : 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.
- bump_filter(...) from builtins.PyCapsule
- bump_filter(self : rosetta.core.pack.rotamers.SingleResidueRotamerLibrary, rotamers : rosetta.utility.vector1_std_shared_ptr_core_conformation_Residue_t, resid : int, sf : rosetta.core.scoring.ScoreFunction, pose : rosetta.core.pose.Pose, task : core::pack::task::PackerTask, packer_neighbor_graph : rosetta.core.graph.Graph) -> NoneType
Filter a RotamerVector by "bump energy" of a rotamer:
All rotamers with bump energies over a certain threshold will be discarded
Exception: if all rotamers are over the threshold, one rotamer (with the lowest
bump energy) will be reserved.
The vector "rotamers" will be modified "in-place"
- compute_proton_chi_samplings(...) from builtins.PyCapsule
- compute_proton_chi_samplings(self : rosetta.core.pack.rotamers.SingleResidueRotamerLibrary, concrete_residue : rosetta.core.chemical.ResidueType, rlt : core::pack::task::ResidueLevelTask, buried : bool) -> rosetta.utility.vector1_utility_vector1_double_std_allocator_double_t
Return a vector (indexed by proton_chi number) of vectors of dihedral values
to use in proton chi sampling
- current_rotamer(...) from builtins.PyCapsule
- current_rotamer(self : rosetta.core.pack.rotamers.SingleResidueRotamerLibrary, rotamers : rosetta.utility.vector1_std_shared_ptr_core_conformation_Residue_t, resid : int, task : core::pack::task::PackerTask, concrete_residue : rosetta.core.chemical.ResidueType, existing_residue : rosetta.core.conformation.Residue) -> int
Adds the current rotamer to rotamer vector, if the Rotlib supports it
This is in this class mainly because of historical
behavior of certain rotamer libraries not supporting current rotamers
- emergency_rotamer(...) from builtins.PyCapsule
- emergency_rotamer(self : rosetta.core.pack.rotamers.SingleResidueRotamerLibrary, rotamers : rosetta.utility.vector1_std_shared_ptr_core_conformation_Residue_t, resid : int, pose : rosetta.core.pose.Pose, task : core::pack::task::PackerTask, concrete_residue : rosetta.core.chemical.ResidueType, existing_residue : rosetta.core.conformation.Residue) -> NoneType
Generate an "emergency rotamer" if we don't have any
This is in this class mainly because of historical
behavior of certain rotamer libraries not supporting current rotamers
- expand_proton_chis(...) from builtins.PyCapsule
- expand_proton_chis(*args, **kwargs)
Overloaded function.
1. expand_proton_chis(self : rosetta.core.pack.rotamers.SingleResidueRotamerLibrary, sampling : rosetta.utility.vector1_utility_vector1_double_std_allocator_double_t, concrete_residue : rosetta.core.chemical.ResidueType) -> rosetta.utility.vector1_std_shared_ptr_core_pack_dunbrack_ChiSet_t
Given a vector of vectors of dihedrals to sample on proton chis,
Will create the ChiSet vector combinitorially on those chi values
(Note: The ChiSets are only valid/defined over the proton chis.)
2. expand_proton_chis(self : rosetta.core.pack.rotamers.SingleResidueRotamerLibrary, sampling : rosetta.utility.vector1_utility_vector1_double_std_allocator_double_t, concrete_residue : rosetta.core.chemical.ResidueType, max_rotamers : int) -> rosetta.utility.vector1_std_shared_ptr_core_pack_dunbrack_ChiSet_t
Given a vector of vectors of dihedrals to sample on proton chis,
Will create the ChiSet vector combinitorially on those chi values
(Note: The ChiSets are only valid/defined over the proton chis.)
- virtual_sidechain(...) from builtins.PyCapsule
- virtual_sidechain(self : rosetta.core.pack.rotamers.SingleResidueRotamerLibrary, rotamers : rosetta.utility.vector1_std_shared_ptr_core_conformation_Residue_t, resid : int, pose : rosetta.core.pose.Pose, task : core::pack::task::PackerTask, concrete_residue : rosetta.core.chemical.ResidueType, existing_residue : rosetta.core.conformation.Residue) -> rosetta.utility.vector1_std_shared_ptr_core_conformation_Residue_t
Add a virtualized sidechain to the rotamer vector if
settings call for it.
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class SingleLigandRotamerLibrary(SingleResidueRotamerLibrary) |
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A fixed library of conformations for some residue type (doesn't have to be a ligand).
Reads residue conformations in PDB format separated by mandatory TER records.
"Included" from a residue .params file with the PDB_ROTAMERS keyword.
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- Method resolution order:
- SingleLigandRotamerLibrary
- SingleResidueRotamerLibrary
- 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.
- assign(...) from builtins.PyCapsule
- assign(self : rosetta.core.pack.rotamers.SingleLigandRotamerLibrary, : rosetta.core.pack.rotamers.SingleLigandRotamerLibrary) -> rosetta.core.pack.rotamers.SingleLigandRotamerLibrary
- assign_random_rotamer_with_bias(...) from builtins.PyCapsule
- assign_random_rotamer_with_bias(self : rosetta.core.pack.rotamers.SingleLigandRotamerLibrary, : rosetta.core.conformation.Residue, : rosetta.core.pose.Pose, : rosetta.core.pack.dunbrack.RotamerLibraryScratchSpace, : rosetta.numeric.random.RandomGenerator, : rosetta.utility.vector1_double, : bool) -> NoneType
- best_rotamer_energy(...) from builtins.PyCapsule
- best_rotamer_energy(self : rosetta.core.pack.rotamers.SingleLigandRotamerLibrary, rsd : rosetta.core.conformation.Residue, curr_rotamer_only : bool, scratch : rosetta.core.pack.dunbrack.RotamerLibraryScratchSpace) -> float
- build_base_rotamers(...) from builtins.PyCapsule
- build_base_rotamers(self : rosetta.core.pack.rotamers.SingleLigandRotamerLibrary, restype : rosetta.core.chemical.ResidueType, base_rotamers : rosetta.utility.vector1_std_shared_ptr_core_conformation_Residue_t) -> NoneType
Build a set of rotamers for the given ResidueType
- fill_rotamer_vector(...) from builtins.PyCapsule
- fill_rotamer_vector(self : rosetta.core.pack.rotamers.SingleLigandRotamerLibrary, pose : rosetta.core.pose.Pose, scorefxn : rosetta.core.scoring.ScoreFunction, task : rosetta.core.pack.task.PackerTask, : rosetta.core.graph.Graph, concrete_residue : rosetta.core.chemical.ResidueType, existing_residue : rosetta.core.conformation.Residue, extra_chi_steps : rosetta.utility.vector1_utility_vector1_double_std_allocator_double_t, buried : bool, rotamers : rosetta.utility.vector1_std_shared_ptr_core_conformation_Residue_t) -> NoneType
Adheres to the contract from SingleLigandRotamerLibrary
- get_reference_energy(...) from builtins.PyCapsule
- get_reference_energy(rosetta.core.pack.rotamers.SingleLigandRotamerLibrary) -> float
- init_from_file(...) from builtins.PyCapsule
- init_from_file(self : rosetta.core.pack.rotamers.SingleLigandRotamerLibrary, filename : str, restype : rosetta.core.chemical.ResidueType) -> NoneType
Reads conformers from PDB-format file (must be separated by TER records!)
- init_from_vector(...) from builtins.PyCapsule
- init_from_vector(self : rosetta.core.pack.rotamers.SingleLigandRotamerLibrary, coordinates : rosetta.utility.vector1_std_map_std_string_numeric_xyzVector_double_std_less_std_string_std_allocator_std_pair_const_std_string_numeric_xyzVector_double_t) -> NoneType
Reads conformers from a vector of name:coordinate maps
- rotamer_energy(...) from builtins.PyCapsule
- rotamer_energy(self : rosetta.core.pack.rotamers.SingleLigandRotamerLibrary, rsd : rosetta.core.conformation.Residue, scratch : rosetta.core.pack.dunbrack.RotamerLibraryScratchSpace) -> float
Adheres to the contract from SingleLigandRotamerLibrary
- rotamer_energy_deriv(...) from builtins.PyCapsule
- rotamer_energy_deriv(self : rosetta.core.pack.rotamers.SingleLigandRotamerLibrary, rsd : rosetta.core.conformation.Residue, scratch : rosetta.core.pack.dunbrack.RotamerLibraryScratchSpace) -> float
Adheres to the contract from SingleLigandRotamerLibrary
- set_reference_energy(...) from builtins.PyCapsule
- set_reference_energy(self : rosetta.core.pack.rotamers.SingleLigandRotamerLibrary, ref_E_in : float) -> NoneType
- write_to_file(...) from builtins.PyCapsule
- write_to_file(self : rosetta.core.pack.rotamers.SingleLigandRotamerLibrary, out : rosetta.utility.io.ozstream) -> NoneType
Adheres to the contract from SingleLigandRotamerLibrary
Methods inherited from SingleResidueRotamerLibrary:
- __eq__(...) from builtins.PyCapsule
- __eq__(self : rosetta.core.pack.rotamers.SingleResidueRotamerLibrary, : rosetta.core.pack.rotamers.SingleResidueRotamerLibrary) -> bool
Equality test for equivalence.
Two SingleResidueRotamerLibraries test equal if and only if they represent the exact same behavior
- bump_check(...) from builtins.PyCapsule
- bump_check(self : rosetta.core.pack.rotamers.SingleResidueRotamerLibrary, rotamer : rosetta.core.conformation.Residue, resid : int, sf : rosetta.core.scoring.ScoreFunction, pose : rosetta.core.pose.Pose, task : 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.
- bump_filter(...) from builtins.PyCapsule
- bump_filter(self : rosetta.core.pack.rotamers.SingleResidueRotamerLibrary, rotamers : rosetta.utility.vector1_std_shared_ptr_core_conformation_Residue_t, resid : int, sf : rosetta.core.scoring.ScoreFunction, pose : rosetta.core.pose.Pose, task : core::pack::task::PackerTask, packer_neighbor_graph : rosetta.core.graph.Graph) -> NoneType
Filter a RotamerVector by "bump energy" of a rotamer:
All rotamers with bump energies over a certain threshold will be discarded
Exception: if all rotamers are over the threshold, one rotamer (with the lowest
bump energy) will be reserved.
The vector "rotamers" will be modified "in-place"
- compute_proton_chi_samplings(...) from builtins.PyCapsule
- compute_proton_chi_samplings(self : rosetta.core.pack.rotamers.SingleResidueRotamerLibrary, concrete_residue : rosetta.core.chemical.ResidueType, rlt : core::pack::task::ResidueLevelTask, buried : bool) -> rosetta.utility.vector1_utility_vector1_double_std_allocator_double_t
Return a vector (indexed by proton_chi number) of vectors of dihedral values
to use in proton chi sampling
- current_rotamer(...) from builtins.PyCapsule
- current_rotamer(self : rosetta.core.pack.rotamers.SingleResidueRotamerLibrary, rotamers : rosetta.utility.vector1_std_shared_ptr_core_conformation_Residue_t, resid : int, task : core::pack::task::PackerTask, concrete_residue : rosetta.core.chemical.ResidueType, existing_residue : rosetta.core.conformation.Residue) -> int
Adds the current rotamer to rotamer vector, if the Rotlib supports it
This is in this class mainly because of historical
behavior of certain rotamer libraries not supporting current rotamers
- emergency_rotamer(...) from builtins.PyCapsule
- emergency_rotamer(self : rosetta.core.pack.rotamers.SingleResidueRotamerLibrary, rotamers : rosetta.utility.vector1_std_shared_ptr_core_conformation_Residue_t, resid : int, pose : rosetta.core.pose.Pose, task : core::pack::task::PackerTask, concrete_residue : rosetta.core.chemical.ResidueType, existing_residue : rosetta.core.conformation.Residue) -> NoneType
Generate an "emergency rotamer" if we don't have any
This is in this class mainly because of historical
behavior of certain rotamer libraries not supporting current rotamers
- expand_proton_chis(...) from builtins.PyCapsule
- expand_proton_chis(*args, **kwargs)
Overloaded function.
1. expand_proton_chis(self : rosetta.core.pack.rotamers.SingleResidueRotamerLibrary, sampling : rosetta.utility.vector1_utility_vector1_double_std_allocator_double_t, concrete_residue : rosetta.core.chemical.ResidueType) -> rosetta.utility.vector1_std_shared_ptr_core_pack_dunbrack_ChiSet_t
Given a vector of vectors of dihedrals to sample on proton chis,
Will create the ChiSet vector combinitorially on those chi values
(Note: The ChiSets are only valid/defined over the proton chis.)
2. expand_proton_chis(self : rosetta.core.pack.rotamers.SingleResidueRotamerLibrary, sampling : rosetta.utility.vector1_utility_vector1_double_std_allocator_double_t, concrete_residue : rosetta.core.chemical.ResidueType, max_rotamers : int) -> rosetta.utility.vector1_std_shared_ptr_core_pack_dunbrack_ChiSet_t
Given a vector of vectors of dihedrals to sample on proton chis,
Will create the ChiSet vector combinitorially on those chi values
(Note: The ChiSets are only valid/defined over the proton chis.)
- virtual_sidechain(...) from builtins.PyCapsule
- virtual_sidechain(self : rosetta.core.pack.rotamers.SingleResidueRotamerLibrary, rotamers : rosetta.utility.vector1_std_shared_ptr_core_conformation_Residue_t, resid : int, pose : rosetta.core.pose.Pose, task : core::pack::task::PackerTask, concrete_residue : rosetta.core.chemical.ResidueType, existing_residue : rosetta.core.conformation.Residue) -> rosetta.utility.vector1_std_shared_ptr_core_conformation_Residue_t
Add a virtualized sidechain to the rotamer vector if
settings call for it.
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class SingleResiduePeptoidLibrary(SingleResidueRotamerLibrary) |
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- Method resolution order:
- SingleResiduePeptoidLibrary
- SingleResidueRotamerLibrary
- builtins.object
Methods defined here:
- __init__(...) from builtins.PyCapsule
- __init__(*args, **kwargs)
Overloaded function.
1. __init__(self : rosetta.core.pack.rotamers.SingleResiduePeptoidLibrary, n_rotameric_chi : int) -> NoneType
2. __init__(rosetta.core.pack.rotamers.SingleResiduePeptoidLibrary, rosetta.core.pack.rotamers.SingleResiduePeptoidLibrary) -> NoneType
- __new__(*args, **kwargs) from builtins.type
- Create and return a new object. See help(type) for accurate signature.
- aa(...) from builtins.PyCapsule
- aa(rosetta.core.pack.rotamers.SingleResiduePeptoidLibrary) -> rosetta.core.chemical.AA
The amino acid this library is representing
- bin_angle(...) from builtins.PyCapsule
- bin_angle(self : rosetta.core.pack.rotamers.SingleResiduePeptoidLibrary, angle_start : float, angle_step : float, : float, nbins : int, ang : float, bin_lower : int, bin_upper : int, angle_alpha : float) -> NoneType
This is not the right place for this code, but the numeric interpolation library
uselessly indexes by 0 and the basic functions aren't inlined...
- bin_rotameric_chi(...) from builtins.PyCapsule
- bin_rotameric_chi(self : rosetta.core.pack.rotamers.SingleResiduePeptoidLibrary, chi : float, which_chi : int) -> int
, Turns out, when non-rotameric chi are taken out of the picture,
all remaining chi are binned the same way, except proline. Valid only for
Dun08 library.
- get_all_rotamer_samples(...) from builtins.PyCapsule
- get_all_rotamer_samples(self : rosetta.core.pack.rotamers.SingleResiduePeptoidLibrary, omg : float, phi : float, psi : float) -> rosetta.utility.vector1_core_pack_dunbrack_DunbrackRotamerSampleData
DOUG DOUG DOUG The definitions of these need to change (and have been changed)
Return all of the rotamer sample data given a particular phi/psi.
For N-terminus residues, hand in the omega value SingleResiduePeptoidLibrary::NEUTRAL_OMG and
phi value SingleResiduePeptoidLibrary::NEUTRAL_PHI and for C-terminus residues, hand in the
psi value SingleResiduePeptoidLibrary::NEUTRAL_PSI. The returned samples should be in
semi-decrasing order by probability; semi, because the rotamers are constructed in sorted order
by their probability in the lower phi-psi bin that the input phi/psi perscribes.
- get_omg_from_rsd(...) from builtins.PyCapsule
- get_omg_from_rsd(self : rosetta.core.pack.rotamers.SingleResiduePeptoidLibrary, rsd : rosetta.core.conformation.Residue, pose : rosetta.core.pose.Pose) -> float
- get_phi_from_rsd(...) from builtins.PyCapsule
- get_phi_from_rsd(self : rosetta.core.pack.rotamers.SingleResiduePeptoidLibrary, rsd : rosetta.core.conformation.Residue, pose : rosetta.core.pose.Pose) -> float
- get_probability_for_rotamer(...) from builtins.PyCapsule
- get_probability_for_rotamer(self : rosetta.core.pack.rotamers.SingleResiduePeptoidLibrary, omg : float, phi : float, psi : float, rot_ind : int) -> float
Return the probability for a particular rotamer where rotamers are
indexed in order of decreasing probability (or something very close to
decreasing probability).
- get_psi_from_rsd(...) from builtins.PyCapsule
- get_psi_from_rsd(self : rosetta.core.pack.rotamers.SingleResiduePeptoidLibrary, rsd : rosetta.core.conformation.Residue, pose : rosetta.core.pose.Pose) -> float
- get_rotamer(...) from builtins.PyCapsule
- get_rotamer(self : rosetta.core.pack.rotamers.SingleResiduePeptoidLibrary, omg : float, phi : float, psi : float, rot_ind : int) -> rosetta.core.pack.dunbrack.DunbrackRotamerSampleData
- get_rotamer_from_chi(...) from builtins.PyCapsule
- get_rotamer_from_chi(self : rosetta.core.pack.rotamers.SingleResiduePeptoidLibrary, chi : rosetta.utility.vector1_double, rot : rosetta.utility.vector1_unsigned_long) -> NoneType
Convert a vector of chi angles (degrees) into a integer vector of rotamer wells.
Derived class should be consistent, but may be arbitrary in how wells divide angle space.
- memory_usage_in_bytes(...) from builtins.PyCapsule
- memory_usage_in_bytes(rosetta.core.pack.rotamers.SingleResiduePeptoidLibrary) -> int
Derived classes should invoke base class function as well.
- n_rotamer_bins(...) from builtins.PyCapsule
- n_rotamer_bins(rosetta.core.pack.rotamers.SingleResiduePeptoidLibrary) -> int
The number of rotamer bins represented by the library.
- n_rotamer_bins_for_aa(...) from builtins.PyCapsule
- n_rotamer_bins_for_aa(aa : rosetta.core.chemical.AA, rot : rosetta.utility.vector1_unsigned_long) -> NoneType
DOUG DOUG DOUG This can be removed but might need to be converted to strings. However it seems that in our case they could be member variables since we really are having SINGLE RESIDUE rot libs and these provide look up for each.
Hard coded specifics about the amino acids
- n_rotamer_bins_for_aa_02(...) from builtins.PyCapsule
- n_rotamer_bins_for_aa_02(aa : rosetta.core.chemical.AA, rot : rosetta.utility.vector1_unsigned_long) -> NoneType
Hard coded rotamer well info for the 2002 library.
- n_rotameric_bins_for_aa(...) from builtins.PyCapsule
- n_rotameric_bins_for_aa(aa : rosetta.core.chemical.AA, rot : rosetta.utility.vector1_unsigned_long, dun02 : bool) -> NoneType
Reports information about the *rotameric* chi only; no details
about the non rotameric chi.
- nchi(...) from builtins.PyCapsule
- nchi(rosetta.core.pack.rotamers.SingleResiduePeptoidLibrary) -> int
The number of chi represented by the library.
- packed_rotno_2_rotwell(...) from builtins.PyCapsule
- packed_rotno_2_rotwell(*args, **kwargs)
Overloaded function.
1. packed_rotno_2_rotwell(self : rosetta.core.pack.rotamers.SingleResiduePeptoidLibrary, packed_rotno : int, rotwell : rosetta.utility.vector1_unsigned_long) -> NoneType
Convert from the packed rotamer number to the rotamer well
2. packed_rotno_2_rotwell(self : rosetta.core.pack.rotamers.SingleResiduePeptoidLibrary, packed_rotno : int, rotwell : rosetta.utility.fixedsizearray1_unsigned_long_4_t) -> NoneType
3. packed_rotno_2_rotwell(self : rosetta.core.pack.rotamers.SingleResiduePeptoidLibrary, packed_rotno : int) -> rosetta.utility.vector1_unsigned_long
- prob_to_accumulate(...) from builtins.PyCapsule
- prob_to_accumulate(self : rosetta.core.pack.rotamers.SingleResiduePeptoidLibrary, : float, : float) -> NoneType
setters for accumulation probability cutoff (to support externally-controlled option dependence)
- prob_to_accumulate_buried(...) from builtins.PyCapsule
- prob_to_accumulate_buried(self : rosetta.core.pack.rotamers.SingleResiduePeptoidLibrary, : float) -> NoneType
- prob_to_accumulate_nonburied(...) from builtins.PyCapsule
- prob_to_accumulate_nonburied(self : rosetta.core.pack.rotamers.SingleResiduePeptoidLibrary, : float) -> NoneType
- probability_to_accumulate_while_building_rotamers(...) from builtins.PyCapsule
- probability_to_accumulate_while_building_rotamers(self : rosetta.core.pack.rotamers.SingleResiduePeptoidLibrary, buried : bool) -> float
When creating rotamer, what position in the CDF should one build until?
Unlikely rotamers ( < 0.5 %) are numerous, but are very infrequently useful.
- read_from_binary(...) from builtins.PyCapsule
- read_from_binary(self : rosetta.core.pack.rotamers.SingleResiduePeptoidLibrary, in : rosetta.utility.io.izstream) -> NoneType
- read_options(...) from builtins.PyCapsule
- read_options(rosetta.core.pack.rotamers.SingleResiduePeptoidLibrary) -> NoneType
- rotno_2_packed_rotno(...) from builtins.PyCapsule
- rotno_2_packed_rotno(self : rosetta.core.pack.rotamers.SingleResiduePeptoidLibrary, rotno : int) -> int
Convert from the rotamer number to the compacted
"packed rotamer number". Returns 0 if rotno has no corresponding packed rotno.
- rotno_2_rotwell(...) from builtins.PyCapsule
- rotno_2_rotwell(self : rosetta.core.pack.rotamers.SingleResiduePeptoidLibrary, rotno : int, rotwell : rosetta.utility.vector1_unsigned_long) -> NoneType
Convert from the rotamer number to the rotamer well
- rotwell_2_packed_rotno(...) from builtins.PyCapsule
- rotwell_2_packed_rotno(*args, **kwargs)
Overloaded function.
1. rotwell_2_packed_rotno(self : rosetta.core.pack.rotamers.SingleResiduePeptoidLibrary, rotwell : rosetta.utility.vector1_unsigned_long) -> int
Convert from the rotamer bin indices for each chi to the
compacted "packed rotamer number." Returns 0 if rotwell has no corresponding packed rotno
2. rotwell_2_packed_rotno(self : rosetta.core.pack.rotamers.SingleResiduePeptoidLibrary, rotwell : rosetta.utility.fixedsizearray1_unsigned_long_4_t) -> int
Convert from the rotamer bin indices for each chi to the
compacted "packed rotamer number." Returns 0 if rotwell has no corresponding packed rotno
- rotwell_2_rotno(...) from builtins.PyCapsule
- rotwell_2_rotno(*args, **kwargs)
Overloaded function.
1. rotwell_2_rotno(self : rosetta.core.pack.rotamers.SingleResiduePeptoidLibrary, rotwell : rosetta.utility.vector1_unsigned_long) -> int
Convert from the rotamer bin indices for each chi to the
(non-compact) "rotamer number"
2. rotwell_2_rotno(self : rosetta.core.pack.rotamers.SingleResiduePeptoidLibrary, rotwell : rosetta.utility.fixedsizearray1_unsigned_long_4_t) -> int
Convert from the rotamer bin indices for each chi to the
(non-compact) "rotamer number"
- set_n_chi_bins(...) from builtins.PyCapsule
- set_n_chi_bins(self : rosetta.core.pack.rotamers.SingleResiduePeptoidLibrary, : rosetta.utility.vector1_unsigned_long) -> NoneType
Tell the base class the number of chi bins for each rotameric
chi dimension
- write_to_binary(...) from builtins.PyCapsule
- write_to_binary(self : rosetta.core.pack.rotamers.SingleResiduePeptoidLibrary, out : rosetta.utility.io.ozstream) -> NoneType
Methods inherited from SingleResidueRotamerLibrary:
- __eq__(...) from builtins.PyCapsule
- __eq__(self : rosetta.core.pack.rotamers.SingleResidueRotamerLibrary, : rosetta.core.pack.rotamers.SingleResidueRotamerLibrary) -> bool
Equality test for equivalence.
Two SingleResidueRotamerLibraries test equal if and only if they represent the exact same behavior
- assign(...) from builtins.PyCapsule
- assign(self : rosetta.core.pack.rotamers.SingleResidueRotamerLibrary, : rosetta.core.pack.rotamers.SingleResidueRotamerLibrary) -> rosetta.core.pack.rotamers.SingleResidueRotamerLibrary
- assign_random_rotamer_with_bias(...) from builtins.PyCapsule
- assign_random_rotamer_with_bias(self : rosetta.core.pack.rotamers.SingleResidueRotamerLibrary, rsd : rosetta.core.conformation.Residue, pose : rosetta.core.pose.Pose, scratch : rosetta.core.pack.dunbrack.RotamerLibraryScratchSpace, RG : rosetta.numeric.random.RandomGenerator, new_chi_angles : rosetta.utility.vector1_double, perturb_from_rotamer_center : bool) -> NoneType
Pick a rotamer for the input residue according to the rotamer probability
distribution and assign chi angles to the input rsd. If perturb_from_rotamer_center
is true, then push the rotamer off from the center; for chi angles with a normal
distribution, the perturbation is taken from a Gaussian random number with a standard
deviation matching the chi angle's standard deviation. For chi angles that are not
normally distributed, the behavior is open to the derived classe's interpretation.
- best_rotamer_energy(...) from builtins.PyCapsule
- best_rotamer_energy(self : rosetta.core.pack.rotamers.SingleResidueRotamerLibrary, rsd : rosetta.core.conformation.Residue, curr_rotamer_only : bool, scratch : rosetta.core.pack.dunbrack.RotamerLibraryScratchSpace) -> float
Returns the energy of the lowest-energy rotamer accessible to the given residue
(based on e.g. its current phi and psi values).
If curr_rotamer_only is true, then consider only the idealized version of the
residue's current rotamer (local optimum); otherwise, consider all rotamers (global optimum).
- bump_check(...) from builtins.PyCapsule
- bump_check(self : rosetta.core.pack.rotamers.SingleResidueRotamerLibrary, rotamer : rosetta.core.conformation.Residue, resid : int, sf : rosetta.core.scoring.ScoreFunction, pose : rosetta.core.pose.Pose, task : 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.
- bump_filter(...) from builtins.PyCapsule
- bump_filter(self : rosetta.core.pack.rotamers.SingleResidueRotamerLibrary, rotamers : rosetta.utility.vector1_std_shared_ptr_core_conformation_Residue_t, resid : int, sf : rosetta.core.scoring.ScoreFunction, pose : rosetta.core.pose.Pose, task : core::pack::task::PackerTask, packer_neighbor_graph : rosetta.core.graph.Graph) -> NoneType
Filter a RotamerVector by "bump energy" of a rotamer:
All rotamers with bump energies over a certain threshold will be discarded
Exception: if all rotamers are over the threshold, one rotamer (with the lowest
bump energy) will be reserved.
The vector "rotamers" will be modified "in-place"
- compute_proton_chi_samplings(...) from builtins.PyCapsule
- compute_proton_chi_samplings(self : rosetta.core.pack.rotamers.SingleResidueRotamerLibrary, concrete_residue : rosetta.core.chemical.ResidueType, rlt : core::pack::task::ResidueLevelTask, buried : bool) -> rosetta.utility.vector1_utility_vector1_double_std_allocator_double_t
Return a vector (indexed by proton_chi number) of vectors of dihedral values
to use in proton chi sampling
- current_rotamer(...) from builtins.PyCapsule
- current_rotamer(self : rosetta.core.pack.rotamers.SingleResidueRotamerLibrary, rotamers : rosetta.utility.vector1_std_shared_ptr_core_conformation_Residue_t, resid : int, task : core::pack::task::PackerTask, concrete_residue : rosetta.core.chemical.ResidueType, existing_residue : rosetta.core.conformation.Residue) -> int
Adds the current rotamer to rotamer vector, if the Rotlib supports it
This is in this class mainly because of historical
behavior of certain rotamer libraries not supporting current rotamers
- emergency_rotamer(...) from builtins.PyCapsule
- emergency_rotamer(self : rosetta.core.pack.rotamers.SingleResidueRotamerLibrary, rotamers : rosetta.utility.vector1_std_shared_ptr_core_conformation_Residue_t, resid : int, pose : rosetta.core.pose.Pose, task : core::pack::task::PackerTask, concrete_residue : rosetta.core.chemical.ResidueType, existing_residue : rosetta.core.conformation.Residue) -> NoneType
Generate an "emergency rotamer" if we don't have any
This is in this class mainly because of historical
behavior of certain rotamer libraries not supporting current rotamers
- expand_proton_chis(...) from builtins.PyCapsule
- expand_proton_chis(*args, **kwargs)
Overloaded function.
1. expand_proton_chis(self : rosetta.core.pack.rotamers.SingleResidueRotamerLibrary, sampling : rosetta.utility.vector1_utility_vector1_double_std_allocator_double_t, concrete_residue : rosetta.core.chemical.ResidueType) -> rosetta.utility.vector1_std_shared_ptr_core_pack_dunbrack_ChiSet_t
Given a vector of vectors of dihedrals to sample on proton chis,
Will create the ChiSet vector combinitorially on those chi values
(Note: The ChiSets are only valid/defined over the proton chis.)
2. expand_proton_chis(self : rosetta.core.pack.rotamers.SingleResidueRotamerLibrary, sampling : rosetta.utility.vector1_utility_vector1_double_std_allocator_double_t, concrete_residue : rosetta.core.chemical.ResidueType, max_rotamers : int) -> rosetta.utility.vector1_std_shared_ptr_core_pack_dunbrack_ChiSet_t
Given a vector of vectors of dihedrals to sample on proton chis,
Will create the ChiSet vector combinitorially on those chi values
(Note: The ChiSets are only valid/defined over the proton chis.)
- fill_rotamer_vector(...) from builtins.PyCapsule
- fill_rotamer_vector(self : rosetta.core.pack.rotamers.SingleResidueRotamerLibrary, pose : rosetta.core.pose.Pose, scorefxn : rosetta.core.scoring.ScoreFunction, task : core::pack::task::PackerTask, packer_neighbor_graph : rosetta.core.graph.Graph, concrete_residue : rosetta.core.chemical.ResidueType, existing_residue : rosetta.core.conformation.Residue, extra_chi_steps : rosetta.utility.vector1_utility_vector1_double_std_allocator_double_t, buried : bool, rotamers : rosetta.utility.vector1_std_shared_ptr_core_conformation_Residue_t) -> NoneType
- rotamer_energy(...) from builtins.PyCapsule
- rotamer_energy(self : rosetta.core.pack.rotamers.SingleResidueRotamerLibrary, rsd : rosetta.core.conformation.Residue, scratch : rosetta.core.pack.dunbrack.RotamerLibraryScratchSpace) -> float
- rotamer_energy_deriv(...) from builtins.PyCapsule
- rotamer_energy_deriv(self : rosetta.core.pack.rotamers.SingleResidueRotamerLibrary, rsd : rosetta.core.conformation.Residue, scratch : rosetta.core.pack.dunbrack.RotamerLibraryScratchSpace) -> float
- virtual_sidechain(...) from builtins.PyCapsule
- virtual_sidechain(self : rosetta.core.pack.rotamers.SingleResidueRotamerLibrary, rotamers : rosetta.utility.vector1_std_shared_ptr_core_conformation_Residue_t, resid : int, pose : rosetta.core.pose.Pose, task : core::pack::task::PackerTask, concrete_residue : rosetta.core.chemical.ResidueType, existing_residue : rosetta.core.conformation.Residue) -> rosetta.utility.vector1_std_shared_ptr_core_conformation_Residue_t
Add a virtualized sidechain to the rotamer vector if
settings call for it.
- write_to_file(...) from builtins.PyCapsule
- write_to_file(self : rosetta.core.pack.rotamers.SingleResidueRotamerLibrary, out : utility::io::ozstream) -> NoneType
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class SingleResidueRotamerLibrary(builtins.object) |
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SingleResidueRotamerLibrary pure virtual base class
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Methods defined here:
- __eq__(...) from builtins.PyCapsule
- __eq__(self : rosetta.core.pack.rotamers.SingleResidueRotamerLibrary, : rosetta.core.pack.rotamers.SingleResidueRotamerLibrary) -> bool
Equality test for equivalence.
Two SingleResidueRotamerLibraries test equal if and only if they represent the exact same behavior
- __init__(...) from builtins.PyCapsule
- __init__(*args, **kwargs)
Overloaded function.
1. __init__(rosetta.core.pack.rotamers.SingleResidueRotamerLibrary) -> NoneType
2. __init__(rosetta.core.pack.rotamers.SingleResidueRotamerLibrary, rosetta.core.pack.rotamers.SingleResidueRotamerLibrary) -> 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.rotamers.SingleResidueRotamerLibrary, : rosetta.core.pack.rotamers.SingleResidueRotamerLibrary) -> rosetta.core.pack.rotamers.SingleResidueRotamerLibrary
- assign_random_rotamer_with_bias(...) from builtins.PyCapsule
- assign_random_rotamer_with_bias(self : rosetta.core.pack.rotamers.SingleResidueRotamerLibrary, rsd : rosetta.core.conformation.Residue, pose : rosetta.core.pose.Pose, scratch : rosetta.core.pack.dunbrack.RotamerLibraryScratchSpace, RG : rosetta.numeric.random.RandomGenerator, new_chi_angles : rosetta.utility.vector1_double, perturb_from_rotamer_center : bool) -> NoneType
Pick a rotamer for the input residue according to the rotamer probability
distribution and assign chi angles to the input rsd. If perturb_from_rotamer_center
is true, then push the rotamer off from the center; for chi angles with a normal
distribution, the perturbation is taken from a Gaussian random number with a standard
deviation matching the chi angle's standard deviation. For chi angles that are not
normally distributed, the behavior is open to the derived classe's interpretation.
- best_rotamer_energy(...) from builtins.PyCapsule
- best_rotamer_energy(self : rosetta.core.pack.rotamers.SingleResidueRotamerLibrary, rsd : rosetta.core.conformation.Residue, curr_rotamer_only : bool, scratch : rosetta.core.pack.dunbrack.RotamerLibraryScratchSpace) -> float
Returns the energy of the lowest-energy rotamer accessible to the given residue
(based on e.g. its current phi and psi values).
If curr_rotamer_only is true, then consider only the idealized version of the
residue's current rotamer (local optimum); otherwise, consider all rotamers (global optimum).
- bump_check(...) from builtins.PyCapsule
- bump_check(self : rosetta.core.pack.rotamers.SingleResidueRotamerLibrary, rotamer : rosetta.core.conformation.Residue, resid : int, sf : rosetta.core.scoring.ScoreFunction, pose : rosetta.core.pose.Pose, task : 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.
- bump_filter(...) from builtins.PyCapsule
- bump_filter(self : rosetta.core.pack.rotamers.SingleResidueRotamerLibrary, rotamers : rosetta.utility.vector1_std_shared_ptr_core_conformation_Residue_t, resid : int, sf : rosetta.core.scoring.ScoreFunction, pose : rosetta.core.pose.Pose, task : core::pack::task::PackerTask, packer_neighbor_graph : rosetta.core.graph.Graph) -> NoneType
Filter a RotamerVector by "bump energy" of a rotamer:
All rotamers with bump energies over a certain threshold will be discarded
Exception: if all rotamers are over the threshold, one rotamer (with the lowest
bump energy) will be reserved.
The vector "rotamers" will be modified "in-place"
- compute_proton_chi_samplings(...) from builtins.PyCapsule
- compute_proton_chi_samplings(self : rosetta.core.pack.rotamers.SingleResidueRotamerLibrary, concrete_residue : rosetta.core.chemical.ResidueType, rlt : core::pack::task::ResidueLevelTask, buried : bool) -> rosetta.utility.vector1_utility_vector1_double_std_allocator_double_t
Return a vector (indexed by proton_chi number) of vectors of dihedral values
to use in proton chi sampling
- current_rotamer(...) from builtins.PyCapsule
- current_rotamer(self : rosetta.core.pack.rotamers.SingleResidueRotamerLibrary, rotamers : rosetta.utility.vector1_std_shared_ptr_core_conformation_Residue_t, resid : int, task : core::pack::task::PackerTask, concrete_residue : rosetta.core.chemical.ResidueType, existing_residue : rosetta.core.conformation.Residue) -> int
Adds the current rotamer to rotamer vector, if the Rotlib supports it
This is in this class mainly because of historical
behavior of certain rotamer libraries not supporting current rotamers
- emergency_rotamer(...) from builtins.PyCapsule
- emergency_rotamer(self : rosetta.core.pack.rotamers.SingleResidueRotamerLibrary, rotamers : rosetta.utility.vector1_std_shared_ptr_core_conformation_Residue_t, resid : int, pose : rosetta.core.pose.Pose, task : core::pack::task::PackerTask, concrete_residue : rosetta.core.chemical.ResidueType, existing_residue : rosetta.core.conformation.Residue) -> NoneType
Generate an "emergency rotamer" if we don't have any
This is in this class mainly because of historical
behavior of certain rotamer libraries not supporting current rotamers
- expand_proton_chis(...) from builtins.PyCapsule
- expand_proton_chis(*args, **kwargs)
Overloaded function.
1. expand_proton_chis(self : rosetta.core.pack.rotamers.SingleResidueRotamerLibrary, sampling : rosetta.utility.vector1_utility_vector1_double_std_allocator_double_t, concrete_residue : rosetta.core.chemical.ResidueType) -> rosetta.utility.vector1_std_shared_ptr_core_pack_dunbrack_ChiSet_t
Given a vector of vectors of dihedrals to sample on proton chis,
Will create the ChiSet vector combinitorially on those chi values
(Note: The ChiSets are only valid/defined over the proton chis.)
2. expand_proton_chis(self : rosetta.core.pack.rotamers.SingleResidueRotamerLibrary, sampling : rosetta.utility.vector1_utility_vector1_double_std_allocator_double_t, concrete_residue : rosetta.core.chemical.ResidueType, max_rotamers : int) -> rosetta.utility.vector1_std_shared_ptr_core_pack_dunbrack_ChiSet_t
Given a vector of vectors of dihedrals to sample on proton chis,
Will create the ChiSet vector combinitorially on those chi values
(Note: The ChiSets are only valid/defined over the proton chis.)
- fill_rotamer_vector(...) from builtins.PyCapsule
- fill_rotamer_vector(self : rosetta.core.pack.rotamers.SingleResidueRotamerLibrary, pose : rosetta.core.pose.Pose, scorefxn : rosetta.core.scoring.ScoreFunction, task : core::pack::task::PackerTask, packer_neighbor_graph : rosetta.core.graph.Graph, concrete_residue : rosetta.core.chemical.ResidueType, existing_residue : rosetta.core.conformation.Residue, extra_chi_steps : rosetta.utility.vector1_utility_vector1_double_std_allocator_double_t, buried : bool, rotamers : rosetta.utility.vector1_std_shared_ptr_core_conformation_Residue_t) -> NoneType
- rotamer_energy(...) from builtins.PyCapsule
- rotamer_energy(self : rosetta.core.pack.rotamers.SingleResidueRotamerLibrary, rsd : rosetta.core.conformation.Residue, scratch : rosetta.core.pack.dunbrack.RotamerLibraryScratchSpace) -> float
- rotamer_energy_deriv(...) from builtins.PyCapsule
- rotamer_energy_deriv(self : rosetta.core.pack.rotamers.SingleResidueRotamerLibrary, rsd : rosetta.core.conformation.Residue, scratch : rosetta.core.pack.dunbrack.RotamerLibraryScratchSpace) -> float
- virtual_sidechain(...) from builtins.PyCapsule
- virtual_sidechain(self : rosetta.core.pack.rotamers.SingleResidueRotamerLibrary, rotamers : rosetta.utility.vector1_std_shared_ptr_core_conformation_Residue_t, resid : int, pose : rosetta.core.pose.Pose, task : core::pack::task::PackerTask, concrete_residue : rosetta.core.chemical.ResidueType, existing_residue : rosetta.core.conformation.Residue) -> rosetta.utility.vector1_std_shared_ptr_core_conformation_Residue_t
Add a virtualized sidechain to the rotamer vector if
settings call for it.
- write_to_file(...) from builtins.PyCapsule
- write_to_file(self : rosetta.core.pack.rotamers.SingleResidueRotamerLibrary, out : utility::io::ozstream) -> NoneType
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class SingleResidueRotamerLibraryFactory(rosetta.utility.SingletonBase_core_pack_rotamers_SingleResidueRotamerLibraryFactory_t) |
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- Method resolution order:
- SingleResidueRotamerLibraryFactory
- rosetta.utility.SingletonBase_core_pack_rotamers_SingleResidueRotamerLibraryFactory_t
- 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.
- create_singleton_instance(...) from builtins.PyCapsule
- create_singleton_instance() -> rosetta.core.pack.rotamers.SingleResidueRotamerLibraryFactory
- factory_register(...) from builtins.PyCapsule
- factory_register(self : rosetta.core.pack.rotamers.SingleResidueRotamerLibraryFactory, creator : rosetta.core.pack.rotamers.SingleResidueRotamerLibraryCreator) -> NoneType
- get(...) from builtins.PyCapsule
- get(*args, **kwargs)
Overloaded function.
1. get(self : rosetta.core.pack.rotamers.SingleResidueRotamerLibraryFactory, : rosetta.core.chemical.ResidueType) -> rosetta.core.pack.rotamers.SingleResidueRotamerLibrary
Get the SingleResidueRotamerLibrary coresponding to the given ResidueType
If forcebasic is true, a SingleBasicRotamerLibrary will be returned instead of a null pointer
2. get(self : rosetta.core.pack.rotamers.SingleResidueRotamerLibraryFactory, : rosetta.core.chemical.ResidueType, forcebasic : bool) -> rosetta.core.pack.rotamers.SingleResidueRotamerLibrary
Get the SingleResidueRotamerLibrary coresponding to the given ResidueType
If forcebasic is true, a SingleBasicRotamerLibrary will be returned instead of a null pointer
3. get(self : rosetta.core.pack.rotamers.SingleResidueRotamerLibraryFactory, : rosetta.core.chemical.ResidueType, : rosetta.core.conformation.Residue) -> rosetta.core.pack.rotamers.SingleResidueRotamerLibrary
Get the SingleResidueRotamerLibrary coresponding to the given ResidueType
- has_type(...) from builtins.PyCapsule
- has_type(self : rosetta.core.pack.rotamers.SingleResidueRotamerLibraryFactory, : str) -> bool
- type_for_residuetype(...) from builtins.PyCapsule
- type_for_residuetype(self : rosetta.core.pack.rotamers.SingleResidueRotamerLibraryFactory, restype : rosetta.core.chemical.ResidueType) -> str
Methods inherited from rosetta.utility.SingletonBase_core_pack_rotamers_SingleResidueRotamerLibraryFactory_t:
- get_instance(...) from builtins.PyCapsule
- get_instance() -> core::pack::rotamers::SingleResidueRotamerLibraryFactory
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