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core::pack::dunbrack::RotamericSingleResidueDunbrackLibrary< T, N > Member List

This is the complete list of members for core::pack::dunbrack::RotamericSingleResidueDunbrackLibrary< T, N >, including all inherited members.

AA typedefcore::pack::dunbrack::SingleResidueDunbrackLibrary
aa() constcore::pack::dunbrack::SingleResidueDunbrackLibraryinline
aa_core::pack::dunbrack::SingleResidueDunbrackLibraryprivate
ANGLE_DELTAcore::pack::dunbrack::SingleResidueDunbrackLibrarystatic
assign_chi_for_interpolated_rotamer(PackedDunbrackRotamer< T, N, Real > const &interpolated_rotamer, conformation::Residue const &rsd, numeric::random::RandomGenerator &RG, ChiVector &new_chi_angles, bool perturb_from_rotamer_center) constcore::pack::dunbrack::RotamericSingleResidueDunbrackLibrary< T, N >protected
assign_random_rotamer(conformation::Residue const &rsd, pose::Pose const &pose, numeric::random::RandomGenerator &RG, ChiVector &new_chi_angles, bool perturb_from_rotamer_center, Size &packed_rotno) constcore::pack::dunbrack::RotamericSingleResidueDunbrackLibrary< T, N >protected
assign_random_rotamer_with_bias(conformation::Residue const &rsd, pose::Pose const &pose, numeric::random::RandomGenerator &RG, ChiVector &new_chi_angles, bool perturb_from_rotamer_center) const overridecore::pack::dunbrack::RotamericSingleResidueDunbrackLibrary< T, N >virtual
atoms_w_dof_derivatives(conformation::Residue const &rsd, pose::Pose const &pose) const overridecore::pack::dunbrack::RotamericSingleResidueDunbrackLibrary< T, N >virtual
BB_BINRANGEcore::pack::dunbrack::RotamericSingleResidueDunbrackLibrary< T, N >
best_rotamer_energy(conformation::Residue const &rsd, pose::Pose const &pose, bool curr_rotamer_only) const overridecore::pack::dunbrack::RotamericSingleResidueDunbrackLibrary< T, N >virtual
bin_angle(Real const angle_start, Real const angle_step, Real const ASSERT_ONLY(angle_range), Size const nbins, Real const ang, Size &bin_lower, Size &bin_upper, Real &angle_alpha) constcore::pack::dunbrack::SingleResidueDunbrackLibraryinline
bin_angle(Real const angle_start, utility::vector1< core::Size > const &bin_equivs, Real const angle_step, Real const ASSERT_ONLY(angle_range), Size const nbins, Real const ang, Size &bin_lower, Size &bin_upper, Real &angle_alpha) constcore::pack::dunbrack::SingleResidueDunbrackLibraryinline
BIN_EQUIVALENTScore::pack::dunbrack::RotamericSingleResidueDunbrackLibrary< T, N >
bin_rotameric_chi(Real chi, Size which_chi) constcore::pack::dunbrack::SingleResidueDunbrackLibraryinline
build_rotamers(pose::Pose const &pose, scoring::ScoreFunction const &scorefxn, pack::task::PackerTask const &task, utility::graph::GraphCOP packer_neighbor_graph, chemical::ResidueTypeCOP concrete_residue, conformation::Residue const &existing_residue, utility::vector1< utility::vector1< Real > > const &extra_chi_steps, bool buried, rotamers::RotamerVector &rotamers, PackedDunbrackRotamer< T, N, Real > const &interpolated_rotamer) constcore::pack::dunbrack::RotamericSingleResidueDunbrackLibrary< T, N >private
bump_check(core::conformation::ResidueCOP rotamer, core::Size resid, scoring::ScoreFunction const &sf, pose::Pose const &pose, task::PackerTask const &task, utility::graph::GraphCOP packer_neighbor_graph) constcore::pack::rotamers::SingleResidueRotamerLibraryvirtual
bump_filter(RotamerVector &rotamers, core::Size resid, scoring::ScoreFunction const &sf, pose::Pose const &pose, task::PackerTask const &task, utility::graph::GraphCOP packer_neighbor_graph) constcore::pack::rotamers::SingleResidueRotamerLibraryvirtual
canonical_aa_core::pack::dunbrack::RotamericSingleResidueDunbrackLibrary< T, N >private
canonicals_use_voronoi_core::pack::dunbrack::RotamericSingleResidueDunbrackLibrary< T, N >private
chisamples_for_rotamer_and_chi(chemical::ResidueType const &rsd_type, pack::task::ResidueLevelTask const &rtask, bool buried, Size const chi_index, RotamericData< T, N > const &rotamer_data, utility::vector1< Real > const &extra_steps, utility::vector1< Real > &total_chi, utility::vector1< int > &total_rot, utility::vector1< Real > &total_ex_steps, utility::vector1< Real > &chisample_prob) constcore::pack::dunbrack::RotamericSingleResidueDunbrackLibrary< T, N >protectedvirtual
COEF_DELTAcore::pack::dunbrack::SingleResidueDunbrackLibrarystatic
compute_proton_chi_samplings(chemical::ResidueType const &concrete_residue, pack::task::ResidueLevelTask const &rlt, bool buried) constcore::pack::rotamers::SingleResidueRotamerLibraryvirtual
correct_rotamer_well_order_on_read_core::pack::dunbrack::RotamericSingleResidueDunbrackLibrary< T, N >private
correct_termini_derivatives(conformation::Residue const &rsd, RotamerLibraryScratchSpace &scratch) constcore::pack::dunbrack::RotamericSingleResidueDunbrackLibrary< T, N >protected
create_rotamers_from_chisets(pose::Pose const &pose, scoring::ScoreFunction const &scorefxn, pack::task::PackerTask const &task, utility::graph::GraphCOP packer_neighbor_graph, chemical::ResidueTypeCOP concrete_residue, conformation::Residue const &existing_residue, utility::vector1< ChiSetOP > const &chi_set_vector, rotamers::RotamerVector &rotamers) constcore::pack::dunbrack::RotamericSingleResidueDunbrackLibrary< T, N >protected
current_rotamer(RotamerVector &rotamers, core::Size resid, task::PackerTask const &task, chemical::ResidueTypeCOP concrete_residue, conformation::Residue const &existing_residue) constcore::pack::rotamers::SingleResidueRotamerLibraryvirtual
declare_all_existing_rotwells_encountered()core::pack::dunbrack::SingleResidueDunbrackLibraryprotected
dun02() constcore::pack::dunbrack::SingleResidueDunbrackLibraryinlineprotected
dun02_core::pack::dunbrack::SingleResidueDunbrackLibraryprivate
dun_entropy_correction() constcore::pack::dunbrack::SingleResidueDunbrackLibraryinlineprotected
dun_entropy_correction_core::pack::dunbrack::SingleResidueDunbrackLibraryprivate
emergency_rotamer(RotamerVector &rotamers, core::Size resid, pose::Pose const &pose, task::PackerTask const &task, chemical::ResidueTypeCOP concrete_residue, conformation::Residue const &existing_residue) constcore::pack::rotamers::SingleResidueRotamerLibraryvirtual
ENERGY_DELTAcore::pack::dunbrack::SingleResidueDunbrackLibrarystatic
enumerate_chi_sets(chemical::ResidueType const &rsd_type, pack::task::PackerTask const &task, Size const seqpos, bool buried, RotamericData< T, N > const &rotamer_data, utility::vector1< utility::vector1< Real > > const &extra_chi_steps, utility::vector1< ChiSetOP > &chi_set_vector) constcore::pack::dunbrack::RotamericSingleResidueDunbrackLibrary< T, N >protected
eval_rotameric_deriv(conformation::Residue const &rsd, pose::Pose const &pose, RotamerLibraryScratchSpace &scratch) constcore::pack::dunbrack::RotamericSingleResidueDunbrackLibrary< T, N >protected
eval_rotameric_energy(conformation::Residue const &rsd, pose::Pose const &pose, RotamerLibraryInterpolationScratch &scratch, Real4 &chidev, Real4 &chidevpen, core::Size &packed_rotno, rotamers::TorsionEnergy &tenergy) constcore::pack::dunbrack::RotamericSingleResidueDunbrackLibrary< T, N >protected
expand_proton_chis(utility::vector1< utility::vector1< core::Real > > const &sampling, chemical::ResidueType const &concrete_residue, core::Size max_rotamers=5000) constcore::pack::rotamers::SingleResidueRotamerLibraryvirtual
fill_rotamer_vector(pose::Pose const &pose, scoring::ScoreFunction const &scorefxn, pack::task::PackerTask const &task, utility::graph::GraphCOP packer_neighbor_graph, chemical::ResidueTypeCOP concrete_residue, conformation::Residue const &existing_residue, utility::vector1< utility::vector1< Real > > const &extra_chi_steps, bool buried, rotamers::RotamerVector &rotamers) const overridecore::pack::dunbrack::RotamericSingleResidueDunbrackLibrary< T, N >virtual
find_another_representative_for_unlikely_rotamer(conformation::Residue const &rsd, pose::Pose const &pose, Size4 &rotwell) constcore::pack::dunbrack::RotamericSingleResidueDunbrackLibrary< T, N >
get_all_rotamer_samples(Real5 bbs) const overridecore::pack::dunbrack::RotamericSingleResidueDunbrackLibrary< T, N >virtual
get_bb_bins(utility::fixedsizearray1< Real, N > const &bbs, utility::fixedsizearray1< Size, N > &bb_bin, utility::fixedsizearray1< Size, N > &bb_bin_next, utility::fixedsizearray1< Real, N > &bb_alpha) constcore::pack::dunbrack::RotamericSingleResidueDunbrackLibrary< T, N >
get_bb_bins(utility::fixedsizearray1< Real, N > const &bbs, utility::fixedsizearray1< Size, N > &bb_bin) constcore::pack::dunbrack::RotamericSingleResidueDunbrackLibrary< T, N >
get_bb_bins(utility::vector1< core::Real > const &bbs, utility::vector1< core::Size > &bb_bin) constcore::pack::dunbrack::RotamericSingleResidueDunbrackLibrary< T, N >
get_IV_from_rsd(core::Size bbn, conformation::Residue const &rsd, pose::Pose const &pose) constcore::pack::dunbrack::RotamericSingleResidueDunbrackLibrary< T, N >protected
get_IVs_from_rsd(conformation::Residue const &rsd, pose::Pose const &pose) constcore::pack::dunbrack::RotamericSingleResidueDunbrackLibrary< T, N >protected
get_packed_rotno(conformation::Residue const &rsd, pose::Pose const &pose) constcore::pack::dunbrack::RotamericSingleResidueDunbrackLibrary< T, N >protected
get_packed_rotno(conformation::Residue const &rsd, pose::Pose const &pose, ChiVector &chi) constcore::pack::dunbrack::RotamericSingleResidueDunbrackLibrary< T, N >protected
get_phi_from_rsd(conformation::Residue const &rsd) const overridecore::pack::dunbrack::RotamericSingleResidueDunbrackLibrary< T, N >protectedvirtual
get_probability_for_rotamer(utility::fixedsizearray1< Real, N > bbs, Size rot_ind) constcore::pack::dunbrack::RotamericSingleResidueDunbrackLibrary< T, N >virtual
get_psi_from_rsd(conformation::Residue const &rsd) const overridecore::pack::dunbrack::RotamericSingleResidueDunbrackLibrary< T, N >protectedvirtual
get_rotamer(utility::fixedsizearray1< Real, N > bbs, Size rot_ind) constcore::pack::dunbrack::RotamericSingleResidueDunbrackLibrary< T, N >virtual
get_rotamer_from_chi(ChiVector const &chi, RotVector &rot) const overridecore::pack::dunbrack::RotamericSingleResidueDunbrackLibrary< T, N >virtual
get_rotamer_from_chi_static(ChiVector const &chi, Size4 &rot) constcore::pack::dunbrack::RotamericSingleResidueDunbrackLibrary< T, N >protected
get_rotamer_from_chi_static(Real4 const &chi, Size4 &rot) constcore::pack::dunbrack::RotamericSingleResidueDunbrackLibrary< T, N >protected
get_rotamer_from_chi_static_voronoi(ChiVector const &chi, core::Size &rot, core::conformation::Residue const &rsd, core::pose::Pose const &pose) constcore::pack::dunbrack::RotamericSingleResidueDunbrackLibrary< T, N >protected
hokey_template_workaround()core::pack::dunbrack::SingleResidueDunbrackLibraryprivate
increment_tensor_index_recursively(utility::fixedsizearray1< Size,(N+1) > &bb_bin, utility::fixedsizearray1< Size,(N+1) > const &bb_bin_maxes, core::Size const recursion_level) constcore::pack::dunbrack::RotamericSingleResidueDunbrackLibrary< T, N >protected
initialize_bicubic_splines()core::pack::dunbrack::RotamericSingleResidueDunbrackLibrary< T, N >protected
interpolate_rotamers(conformation::Residue const &rsd, pose::Pose const &pose, RotamerLibraryInterpolationScratch &scratch, Size packed_rotno, PackedDunbrackRotamer< T, N, Real > &interpolated_rotamer) constcore::pack::dunbrack::RotamericSingleResidueDunbrackLibrary< T, N >
interpolate_rotamers(RotamerLibraryInterpolationScratch &scratch, Size packed_rotno, utility::fixedsizearray1< Size, N > const &bb_bin, utility::fixedsizearray1< Size, N > const &bb_bin_next, utility::fixedsizearray1< Real, N > const &bb_alpha, PackedDunbrackRotamer< T, N, Real > &interpolated_rotamer, ChiVector const &chi=ChiVector(T, 0.0), bool const use_chi=false) constcore::pack::dunbrack::RotamericSingleResidueDunbrackLibrary< T, N >protected
iv_reporters_core::pack::dunbrack::RotamericSingleResidueDunbrackLibrary< T, N >private
make_conditional_packed_rotno_index(Size const original_bb_index, Size const bb_index, Size const packed_rotno, ChiVector const &chi, bool const use_chi) constcore::pack::dunbrack::RotamericSingleResidueDunbrackLibrary< T, N >protected
mark_rotwell_exists(utility::vector1< Size > const &rotwell)core::pack::dunbrack::SingleResidueDunbrackLibraryprotected
memory_usage_dynamic() const overridecore::pack::dunbrack::RotamericSingleResidueDunbrackLibrary< T, N >protectedvirtual
memory_usage_in_bytes() constcore::pack::dunbrack::SingleResidueDunbrackLibraryvirtual
memory_usage_static() const overridecore::pack::dunbrack::RotamericSingleResidueDunbrackLibrary< T, N >protectedvirtual
N_BB_BINScore::pack::dunbrack::RotamericSingleResidueDunbrackLibrary< T, N >
n_chi_bins() constcore::pack::dunbrack::SingleResidueDunbrackLibraryinlineprotected
n_chi_bins_core::pack::dunbrack::SingleResidueDunbrackLibraryprivate
n_chi_products_core::pack::dunbrack::SingleResidueDunbrackLibraryprivate
n_packed_rots() constcore::pack::dunbrack::SingleResidueDunbrackLibraryinlineprotected
n_packed_rots_core::pack::dunbrack::SingleResidueDunbrackLibraryprivate
n_possible_rots() constcore::pack::dunbrack::SingleResidueDunbrackLibraryinlineprotected
n_possible_rots_core::pack::dunbrack::SingleResidueDunbrackLibraryprivate
n_rotamer_bins() const overridecore::pack::dunbrack::RotamericSingleResidueDunbrackLibrary< T, N >virtual
n_rotamer_bins_for_aa(chemical::ResidueType const &rt, RotVector &rot, bool const dun02=false)core::pack::dunbrack::SingleResidueDunbrackLibrarystatic
n_rotamer_bins_for_aa(chemical::AA const aa, RotVector &rot)core::pack::dunbrack::SingleResidueDunbrackLibrarystatic
n_rotamer_bins_for_aa_02(chemical::AA const aa, RotVector &rot)core::pack::dunbrack::SingleResidueDunbrackLibrarystatic
n_rotameric_bins_for_aa(chemical::AA const aa, RotVector &rot, bool dun02)core::pack::dunbrack::SingleResidueDunbrackLibrarystatic
n_rotameric_chi_core::pack::dunbrack::SingleResidueDunbrackLibraryprivate
nbb() const overridecore::pack::dunbrack::RotamericSingleResidueDunbrackLibrary< T, N >virtual
nchi() const overridecore::pack::dunbrack::RotamericSingleResidueDunbrackLibrary< T, N >virtual
noncanonicals_use_voronoi_core::pack::dunbrack::RotamericSingleResidueDunbrackLibrary< T, N >private
operator=(SingleResidueDunbrackLibrary const &other)=deletecore::pack::dunbrack::SingleResidueDunbrackLibrary
operator==(SingleResidueRotamerLibrary const &) const overridecore::pack::dunbrack::RotamericSingleResidueDunbrackLibrary< T, N >virtual
packed_rotamer_2_regular_rotamer(PackedDunbrackRotamer< T, N, P > const &packedrot) constcore::pack::dunbrack::RotamericSingleResidueDunbrackLibrary< T, N >protected
packed_rotno_2_rotno_core::pack::dunbrack::SingleResidueDunbrackLibraryprivate
packed_rotno_2_rotwell(Size const packed_rotno, utility::vector1< Size > &rotwell) constcore::pack::dunbrack::SingleResidueDunbrackLibrary
packed_rotno_2_rotwell(Size const packed_rotno, Size4 &rotwell) constcore::pack::dunbrack::SingleResidueDunbrackLibrary
packed_rotno_2_rotwell(Size const packed_rotno) constcore::pack::dunbrack::SingleResidueDunbrackLibrary
packed_rotno_2_rotwell_core::pack::dunbrack::SingleResidueDunbrackLibraryprivate
packed_rotno_2_sorted_rotno() constcore::pack::dunbrack::RotamericSingleResidueDunbrackLibrary< T, N >inlineprotected
packed_rotno_2_sorted_rotno()core::pack::dunbrack::RotamericSingleResidueDunbrackLibrary< T, N >inlineprotected
packed_rotno_2_sorted_rotno_core::pack::dunbrack::RotamericSingleResidueDunbrackLibrary< T, N >private
packed_rotno_conversion_data_current_core::pack::dunbrack::SingleResidueDunbrackLibraryprivate
parent typedefcore::pack::dunbrack::RotamericSingleResidueDunbrackLibrary< T, N >
PEPTIDE_NEUTRAL_PHIcore::pack::dunbrack::SingleResidueDunbrackLibrarystatic
PEPTIDE_NEUTRAL_PSIcore::pack::dunbrack::SingleResidueDunbrackLibrarystatic
peptoid_core::pack::dunbrack::RotamericSingleResidueDunbrackLibrary< T, N >private
peptoid_is_achiral_core::pack::dunbrack::RotamericSingleResidueDunbrackLibrary< T, N >private
PEPTOID_NEUTRAL_OMGcore::pack::dunbrack::SingleResidueDunbrackLibrarystatic
PEPTOID_NEUTRAL_PHIcore::pack::dunbrack::SingleResidueDunbrackLibrarystatic
PEPTOID_NEUTRAL_PSIcore::pack::dunbrack::SingleResidueDunbrackLibrarystatic
PROB_DELTAcore::pack::dunbrack::SingleResidueDunbrackLibrarystatic
probability_to_accumulate_while_building_rotamers(core::pack::task::PackerTask const &task, bool buried) constcore::pack::dunbrack::SingleResidueDunbrackLibraryvirtual
read_from_binary(utility::io::izstream &in) overridecore::pack::dunbrack::RotamericSingleResidueDunbrackLibrary< T, N >virtual
read_from_file(utility::io::izstream &in, bool first_line_three_letter_code_already_read, bool write_out=false)core::pack::dunbrack::RotamericSingleResidueDunbrackLibrary< T, N >
rotamer_energy(conformation::Residue const &rsd, pose::Pose const &pose, rotamers::TorsionEnergy &tenergy) const overridecore::pack::dunbrack::RotamericSingleResidueDunbrackLibrary< T, N >virtual
rotamer_energy_deriv(conformation::Residue const &rsd, pose::Pose const &pose, id::TorsionID const &tor_id, rotamers::TorsionEnergy &tderiv) const overridecore::pack::dunbrack::RotamericSingleResidueDunbrackLibrary< T, N >virtual
RotamericSingleResidueDunbrackLibrary(chemical::ResidueType const &rt, bool dun02, bool use_bicubic, bool entropy_correction, bool const reduced_resolution_library=false)core::pack::dunbrack::RotamericSingleResidueDunbrackLibrary< T, N >
RotamericSingleResidueDunbrackLibraryParser classcore::pack::dunbrack::RotamericSingleResidueDunbrackLibrary< T, N >friend
rotamers() constcore::pack::dunbrack::RotamericSingleResidueDunbrackLibrary< T, N >inlineprotected
rotamers()core::pack::dunbrack::RotamericSingleResidueDunbrackLibrary< T, N >inlineprotected
rotamers_core::pack::dunbrack::RotamericSingleResidueDunbrackLibrary< T, N >private
rotno_2_packed_rotno(Size const rotno) constcore::pack::dunbrack::SingleResidueDunbrackLibrary
rotno_2_packed_rotno_core::pack::dunbrack::SingleResidueDunbrackLibraryprivate
rotno_2_rotwell(Size const rotno, utility::vector1< Size > &rotwell) constcore::pack::dunbrack::SingleResidueDunbrackLibrary
rotwell_2_packed_rotno(utility::vector1< Size > const &rotwell) constcore::pack::dunbrack::SingleResidueDunbrackLibrary
rotwell_2_packed_rotno(Size4 const &rotwell) constcore::pack::dunbrack::SingleResidueDunbrackLibrary
rotwell_2_rotno(utility::vector1< Size > const &rotwell) constcore::pack::dunbrack::SingleResidueDunbrackLibrary
rotwell_2_rotno(Size4 const &rotwell) constcore::pack::dunbrack::SingleResidueDunbrackLibrary
rotwell_exists_core::pack::dunbrack::SingleResidueDunbrackLibraryprivate
set_n_chi_bins(utility::vector1< Size > const &)core::pack::dunbrack::SingleResidueDunbrackLibrary
setup_entropy_correction()core::pack::dunbrack::RotamericSingleResidueDunbrackLibrary< T, N >protected
setup_entropy_correction() constcore::pack::dunbrack::RotamericSingleResidueDunbrackLibrary< T, N >protected
ShannonEntropy_n_derivs_core::pack::dunbrack::RotamericSingleResidueDunbrackLibrary< T, N >private
SingleResidueDunbrackLibrary classcore::pack::dunbrack::RotamericSingleResidueDunbrackLibrary< T, N >friend
core::pack::dunbrack::SingleResidueDunbrackLibrary::SingleResidueDunbrackLibrary(SingleResidueDunbrackLibrary const &)=deletecore::pack::dunbrack::SingleResidueDunbrackLibrary
core::pack::dunbrack::SingleResidueDunbrackLibrary::SingleResidueDunbrackLibrary(chemical::ResidueType const &rt, Size const n_rotameric_chi, bool dun02, bool use_bicubic, bool dun_entropy_correction)core::pack::dunbrack::SingleResidueDunbrackLibrary
SingleResidueRotamerLibrary(SingleResidueRotamerLibrary const &)=deletecore::pack::rotamers::SingleResidueRotamerLibraryprivate
SingleResidueRotamerLibrary()core::pack::rotamers::SingleResidueRotamerLibraryinline
use_bicubic() constcore::pack::dunbrack::SingleResidueDunbrackLibraryinlineprotected
use_bicubic_core::pack::dunbrack::SingleResidueDunbrackLibraryprivate
verify_bb_bins(utility::fixedsizearray1< Real, N > const &bbs, utility::fixedsizearray1< Size, N > const &bb_bin, utility::fixedsizearray1< Size, N > const &bb_bin_next) constcore::pack::dunbrack::RotamericSingleResidueDunbrackLibrary< T, N >private
verify_phipsi_bins(Real phi, Real psi, Size const phibin, Size const psibin, Size const phibin_next, Size const psibin_next) constcore::pack::dunbrack::RotamericSingleResidueDunbrackLibrary< T, N >private
virtual_sidechain(RotamerVector const &rotamers, core::Size resid, pose::Pose const &pose, task::PackerTask const &task, chemical::ResidueTypeCOP concrete_residue, conformation::Residue const &existing_residue) constcore::pack::rotamers::SingleResidueRotamerLibrary
write_to_binary(utility::io::ozstream &out) const overridecore::pack::dunbrack::RotamericSingleResidueDunbrackLibrary< T, N >virtual
write_to_file(utility::io::ozstream &out) const overridecore::pack::dunbrack::RotamericSingleResidueDunbrackLibrary< T, N >virtual
~RotamericSingleResidueDunbrackLibrary() overridecore::pack::dunbrack::RotamericSingleResidueDunbrackLibrary< T, N >
~SingleResidueRotamerLibrary() overridecore::pack::rotamers::SingleResidueRotamerLibrary