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core::pack::dunbrack::SingleResidueDunbrackLibrary Member List

This is the complete list of members for core::pack::dunbrack::SingleResidueDunbrackLibrary, including all inherited members.

AA typedefcore::pack::dunbrack::SingleResidueDunbrackLibrary
aa() const core::pack::dunbrack::SingleResidueDunbrackLibraryinline
aa_core::pack::dunbrack::SingleResidueDunbrackLibraryprivate
ANGLE_DELTAcore::pack::dunbrack::SingleResidueDunbrackLibrarystatic
assign_random_rotamer_with_bias(conformation::Residue const &rsd, pose::Pose const &pose, dunbrack::RotamerLibraryScratchSpace &scratch, numeric::random::RandomGenerator &RG, dunbrack::ChiVector &new_chi_angles, bool perturb_from_rotamer_center) const =0core::pack::rotamers::SingleResidueRotamerLibrarypure virtual
atoms_w_dof_derivatives(conformation::Residue const &rsd, pose::Pose const &pose) const =0core::pack::rotamers::SingleResidueRotamerLibrarypure virtual
best_rotamer_energy(conformation::Residue const &rsd, pose::Pose const &pose, bool curr_rotamer_only, dunbrack::RotamerLibraryScratchSpace &scratch) const =0core::pack::rotamers::SingleResidueRotamerLibrarypure 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) const core::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) const core::pack::dunbrack::SingleResidueDunbrackLibraryinline
bin_rotameric_chi(Real chi, Size which_chi) const core::pack::dunbrack::SingleResidueDunbrackLibraryinline
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) const core::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) const core::pack::rotamers::SingleResidueRotamerLibraryvirtual
COEF_DELTAcore::pack::dunbrack::SingleResidueDunbrackLibrarystatic
compute_proton_chi_samplings(chemical::ResidueType const &concrete_residue, pack::task::ResidueLevelTask const &rlt, bool buried) const core::pack::rotamers::SingleResidueRotamerLibraryvirtual
current_rotamer(RotamerVector &rotamers, core::Size resid, task::PackerTask const &task, chemical::ResidueTypeCOP concrete_residue, conformation::Residue const &existing_residue) const core::pack::rotamers::SingleResidueRotamerLibraryvirtual
declare_all_existing_rotwells_encountered()core::pack::dunbrack::SingleResidueDunbrackLibraryprotected
dun02() const core::pack::dunbrack::SingleResidueDunbrackLibraryinlineprotected
dun02_core::pack::dunbrack::SingleResidueDunbrackLibraryprivate
dun_entropy_correction() const core::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) const core::pack::rotamers::SingleResidueRotamerLibraryvirtual
ENERGY_DELTAcore::pack::dunbrack::SingleResidueDunbrackLibrarystatic
expand_proton_chis(utility::vector1< utility::vector1< core::Real > > const &sampling, chemical::ResidueType const &concrete_residue, core::Size max_rotamers=5000) const core::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, RotamerVector &rotamers) const =0core::pack::rotamers::SingleResidueRotamerLibrarypure virtual
get_all_rotamer_samples(Real5 bbs) const =0core::pack::dunbrack::SingleResidueDunbrackLibrarypure virtual
get_phi_from_rsd(conformation::Residue const &rsd) const =0core::pack::dunbrack::SingleResidueDunbrackLibrarypure virtual
get_probability_for_rotamer(Real phi, Real psi, Size rot_ind) const =0core::pack::dunbrack::SingleResidueDunbrackLibrarypure virtual
get_psi_from_rsd(conformation::Residue const &rsd) const =0core::pack::dunbrack::SingleResidueDunbrackLibrarypure virtual
get_rotamer(Real phi, Real psi, Size rot_ind) const =0core::pack::dunbrack::SingleResidueDunbrackLibrarypure virtual
get_rotamer_from_chi(ChiVector const &chi, RotVector &rot) const =0core::pack::dunbrack::SingleResidueDunbrackLibrarypure virtual
hokey_template_workaround()core::pack::dunbrack::SingleResidueDunbrackLibraryprivate
mark_rotwell_exists(utility::vector1< Size > const &rotwell)core::pack::dunbrack::SingleResidueDunbrackLibraryprotected
memory_usage_dynamic() const core::pack::dunbrack::SingleResidueDunbrackLibraryprotectedvirtual
memory_usage_in_bytes() const core::pack::dunbrack::SingleResidueDunbrackLibraryvirtual
memory_usage_static() const =0core::pack::dunbrack::SingleResidueDunbrackLibraryprotectedpure virtual
n_chi_bins() const core::pack::dunbrack::SingleResidueDunbrackLibraryinlineprotected
n_chi_bins_core::pack::dunbrack::SingleResidueDunbrackLibraryprivate
n_chi_products_core::pack::dunbrack::SingleResidueDunbrackLibraryprivate
n_packed_rots() const core::pack::dunbrack::SingleResidueDunbrackLibraryinlineprotected
n_packed_rots_core::pack::dunbrack::SingleResidueDunbrackLibraryprivate
n_possible_rots() const core::pack::dunbrack::SingleResidueDunbrackLibraryinlineprotected
n_possible_rots_core::pack::dunbrack::SingleResidueDunbrackLibraryprivate
n_rotamer_bins() const =0core::pack::dunbrack::SingleResidueDunbrackLibrarypure 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 =0core::pack::dunbrack::SingleResidueDunbrackLibrarypure virtual
nchi() const =0core::pack::dunbrack::SingleResidueDunbrackLibrarypure virtual
operator=(SingleResidueDunbrackLibrary const &other)=deletecore::pack::dunbrack::SingleResidueDunbrackLibrary
operator==(rotamers::SingleResidueRotamerLibrary const &) const overridecore::pack::dunbrack::SingleResidueDunbrackLibraryvirtual
packed_rotno_2_rotno_core::pack::dunbrack::SingleResidueDunbrackLibraryprivate
packed_rotno_2_rotwell(Size const packed_rotno, utility::vector1< Size > &rotwell) const core::pack::dunbrack::SingleResidueDunbrackLibrary
packed_rotno_2_rotwell(Size const packed_rotno, Size4 &rotwell) const core::pack::dunbrack::SingleResidueDunbrackLibrary
packed_rotno_2_rotwell(Size const packed_rotno) const core::pack::dunbrack::SingleResidueDunbrackLibrary
packed_rotno_2_rotwell_core::pack::dunbrack::SingleResidueDunbrackLibraryprivate
packed_rotno_conversion_data_current_core::pack::dunbrack::SingleResidueDunbrackLibraryprivate
PEPTIDE_NEUTRAL_PHIcore::pack::dunbrack::SingleResidueDunbrackLibrarystatic
PEPTIDE_NEUTRAL_PSIcore::pack::dunbrack::SingleResidueDunbrackLibrarystatic
PEPTOID_NEUTRAL_OMGcore::pack::dunbrack::SingleResidueDunbrackLibrarystatic
PEPTOID_NEUTRAL_PHIcore::pack::dunbrack::SingleResidueDunbrackLibrarystatic
PEPTOID_NEUTRAL_PSIcore::pack::dunbrack::SingleResidueDunbrackLibrarystatic
PROB_DELTAcore::pack::dunbrack::SingleResidueDunbrackLibrarystatic
prob_to_accumulate(Real, Real)core::pack::dunbrack::SingleResidueDunbrackLibrary
prob_to_accumulate_buried(Real)core::pack::dunbrack::SingleResidueDunbrackLibrary
prob_to_accumulate_buried_core::pack::dunbrack::SingleResidueDunbrackLibraryprivate
prob_to_accumulate_nonburied(Real)core::pack::dunbrack::SingleResidueDunbrackLibrary
prob_to_accumulate_nonburied_core::pack::dunbrack::SingleResidueDunbrackLibraryprivate
probability_to_accumulate_while_building_rotamers(bool buried) const core::pack::dunbrack::SingleResidueDunbrackLibrary
read_from_binary(utility::io::izstream &in)core::pack::dunbrack::SingleResidueDunbrackLibraryvirtual
rotamer_energy(conformation::Residue const &rsd, pose::Pose const &pose, dunbrack::RotamerLibraryScratchSpace &scratch) const =0core::pack::rotamers::SingleResidueRotamerLibrarypure virtual
rotamer_energy_deriv(conformation::Residue const &rsd, pose::Pose const &pose, dunbrack::RotamerLibraryScratchSpace &scratch) const =0core::pack::rotamers::SingleResidueRotamerLibrarypure virtual
rotno_2_packed_rotno(Size const rotno) const core::pack::dunbrack::SingleResidueDunbrackLibrary
rotno_2_packed_rotno_core::pack::dunbrack::SingleResidueDunbrackLibraryprivate
rotno_2_rotwell(Size const rotno, utility::vector1< Size > &rotwell) const core::pack::dunbrack::SingleResidueDunbrackLibrary
rotwell_2_packed_rotno(utility::vector1< Size > const &rotwell) const core::pack::dunbrack::SingleResidueDunbrackLibrary
rotwell_2_packed_rotno(Size4 const &rotwell) const core::pack::dunbrack::SingleResidueDunbrackLibrary
rotwell_2_rotno(utility::vector1< Size > const &rotwell) const core::pack::dunbrack::SingleResidueDunbrackLibrary
rotwell_2_rotno(Size4 const &rotwell) const core::pack::dunbrack::SingleResidueDunbrackLibrary
rotwell_exists_core::pack::dunbrack::SingleResidueDunbrackLibraryprivate
set_n_chi_bins(utility::vector1< Size > const &)core::pack::dunbrack::SingleResidueDunbrackLibrary
SingleResidueDunbrackLibrary(SingleResidueDunbrackLibrary const &)=deletecore::pack::dunbrack::SingleResidueDunbrackLibrary
SingleResidueDunbrackLibrary(chemical::ResidueType const &rt, Size const n_rotameric_chi, bool dun02, bool use_bicubic, bool dun_entropy_correction, core::Real prob_buried, core::Real prob_nonburied)core::pack::dunbrack::SingleResidueDunbrackLibrary
SingleResidueRotamerLibrary()core::pack::rotamers::SingleResidueRotamerLibraryinline
use_bicubic() const core::pack::dunbrack::SingleResidueDunbrackLibraryinlineprotected
use_bicubic_core::pack::dunbrack::SingleResidueDunbrackLibraryprivate
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) const core::pack::rotamers::SingleResidueRotamerLibrary
write_to_binary(utility::io::ozstream &out) const core::pack::dunbrack::SingleResidueDunbrackLibraryvirtual
write_to_file(utility::io::ozstream &out) const =0core::pack::rotamers::SingleResidueRotamerLibrarypure virtual
~SingleResidueRotamerLibrary() overridecore::pack::rotamers::SingleResidueRotamerLibrary
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