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core::pack::dunbrack::cenrot::SingleResidueCenrotLibrary Member List

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

AA typedefcore::pack::dunbrack::cenrot::SingleResidueCenrotLibrary
aa() constcore::pack::dunbrack::cenrot::SingleResidueCenrotLibraryinline
aa_core::pack::dunbrack::cenrot::SingleResidueCenrotLibraryprivate
all_rots_bb_core::pack::dunbrack::cenrot::SingleResidueCenrotLibraryprivate
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::cenrot::SingleResidueCenrotLibraryvirtual
atoms_w_dof_derivatives(conformation::Residue const &rsd, pose::Pose const &pose) const overridecore::pack::dunbrack::cenrot::SingleResidueCenrotLibraryvirtual
best_rotamer_energy(conformation::Residue const &rsd, pose::Pose const &pose, bool curr_rotamer_only) const overridecore::pack::dunbrack::cenrot::SingleResidueCenrotLibraryvirtual
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::cenrot::SingleResidueCenrotLibraryinlineprivate
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
compute_proton_chi_samplings(chemical::ResidueType const &concrete_residue, pack::task::ResidueLevelTask const &rlt, bool buried) constcore::pack::rotamers::SingleResidueRotamerLibraryvirtual
current_rotamer(RotamerVector &rotamers, core::Size resid, task::PackerTask const &task, chemical::ResidueTypeCOP concrete_residue, conformation::Residue const &existing_residue) constcore::pack::rotamers::SingleResidueRotamerLibraryvirtual
dummy_sample_core::pack::dunbrack::cenrot::SingleResidueCenrotLibraryprivate
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
entropy_core::pack::dunbrack::cenrot::SingleResidueCenrotLibraryprivate
eval_rotameric_energy_bb_dof_deriv(conformation::Residue const &rsd, id::TorsionID const &tor_id) constcore::pack::dunbrack::cenrot::SingleResidueCenrotLibrary
eval_rotameric_energy_deriv(conformation::Residue const &rsd, Real4 &dis_ang_dih, bool eval_deriv) constcore::pack::dunbrack::cenrot::SingleResidueCenrotLibrary
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::cenrot::SingleResidueCenrotLibraryvirtual
get_closest_rotamer(conformation::Residue const &rsd, Size &nrot, Real &dis) constcore::pack::dunbrack::cenrot::SingleResidueCenrotLibrary
get_phi_from_rsd(conformation::Residue const &rsd) constcore::pack::dunbrack::cenrot::SingleResidueCenrotLibraryprivate
get_phipsi_bins(Real phi, Real psi, Size &phibin, Size &psibin, Size &phibin_next, Size &psibin_next, Real &phi_alpha, Real &psi_alpha) constcore::pack::dunbrack::cenrot::SingleResidueCenrotLibraryprivate
get_phipsi_bins(Real phi, Real psi, Size &phibin, Size &psibin) constcore::pack::dunbrack::cenrot::SingleResidueCenrotLibraryprivate
get_psi_from_rsd(conformation::Residue const &rsd) constcore::pack::dunbrack::cenrot::SingleResidueCenrotLibraryprivate
get_rotamer_samples(conformation::Residue const &rsd) constcore::pack::dunbrack::cenrot::SingleResidueCenrotLibrary
MAX_ROT_ENERGYcore::pack::dunbrack::cenrot::SingleResidueCenrotLibraryprotectedstatic
max_rot_numcore::pack::dunbrack::cenrot::SingleResidueCenrotLibraryprivate
MIN_ROT_PROBcore::pack::dunbrack::cenrot::SingleResidueCenrotLibraryprotectedstatic
N_PHIPSI_BINScore::pack::dunbrack::cenrot::SingleResidueCenrotLibraryprotectedstatic
NEUTRAL_PHIcore::pack::dunbrack::cenrot::SingleResidueCenrotLibraryprotectedstatic
NEUTRAL_PSIcore::pack::dunbrack::cenrot::SingleResidueCenrotLibraryprotectedstatic
operator=(SingleResidueRotamerLibrary const &other)=deletecore::pack::rotamers::SingleResidueRotamerLibraryprivate
operator==(SingleResidueRotamerLibrary const &) constcore::pack::rotamers::SingleResidueRotamerLibraryvirtual
PHIPSI_BINRANGEcore::pack::dunbrack::cenrot::SingleResidueCenrotLibraryprotectedstatic
read_from_file(utility::io::izstream &infile, bool first_line_three_letter_code_already_read)core::pack::dunbrack::cenrot::SingleResidueCenrotLibrary
ref_energy_core::pack::dunbrack::cenrot::SingleResidueCenrotLibraryprivate
rotamer_energy(conformation::Residue const &rsd, pose::Pose const &pose, core::pack::rotamers::TorsionEnergy &tenergy) const overridecore::pack::dunbrack::cenrot::SingleResidueCenrotLibraryvirtual
rotamer_energy_deriv(conformation::Residue const &rsd, pose::Pose const &pose, id::TorsionID const &tor_id, core::pack::rotamers::TorsionEnergy &tderiv) const overridecore::pack::dunbrack::cenrot::SingleResidueCenrotLibraryvirtual
RSD_PHI_INDEXcore::pack::dunbrack::cenrot::SingleResidueCenrotLibraryprotectedstatic
RSD_PSI_INDEXcore::pack::dunbrack::cenrot::SingleResidueCenrotLibraryprotectedstatic
setup_entropy_correction()core::pack::dunbrack::cenrot::SingleResidueCenrotLibraryprivate
SingleResidueCenrotLibrary(AA const aa)core::pack::dunbrack::cenrot::SingleResidueCenrotLibrary
SingleResidueRotamerLibrary(SingleResidueRotamerLibrary const &)=deletecore::pack::rotamers::SingleResidueRotamerLibraryprivate
SingleResidueRotamerLibrary()core::pack::rotamers::SingleResidueRotamerLibraryinline
verify_phipsi_bins(Real phi, Real psi, Size const phibin, Size const psibin, Size const phibin_next, Size const psibin_next) constcore::pack::dunbrack::cenrot::SingleResidueCenrotLibraryprivate
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_file(utility::io::ozstream &out) const overridecore::pack::dunbrack::cenrot::SingleResidueCenrotLibraryvirtual
~SingleResidueCenrotLibrary() overridecore::pack::dunbrack::cenrot::SingleResidueCenrotLibrary
~SingleResidueRotamerLibrary() overridecore::pack::rotamers::SingleResidueRotamerLibrary