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Rosetta
2021.16
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This is the complete list of members for core::pack::rotamers::SingleLigandRotamerLibrary, including all inherited members.
| assign_random_rotamer_with_bias(conformation::Residue const &, pose::Pose const &, dunbrack::RotamerLibraryScratchSpace &, numeric::random::RandomGenerator &, dunbrack::ChiVector &, bool) const override | core::pack::rotamers::SingleLigandRotamerLibrary | inlinevirtual |
| atom_positions_ | core::pack::rotamers::SingleLigandRotamerLibrary | private |
| atoms_w_dof_derivatives(conformation::Residue const &rsd, pose::Pose const &pose) const override | core::pack::rotamers::SingleLigandRotamerLibrary | virtual |
| best_rotamer_energy(conformation::Residue const &rsd, pose::Pose const &pose, bool curr_rotamer_only, dunbrack::RotamerLibraryScratchSpace &scratch) const override | core::pack::rotamers::SingleLigandRotamerLibrary | virtual |
| build_base_rotamers(chemical::ResidueType const &restype, RotamerVector &base_rotamers) const | core::pack::rotamers::SingleLigandRotamerLibrary | |
| 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::SingleResidueRotamerLibrary | virtual |
| 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::SingleResidueRotamerLibrary | virtual |
| compute_proton_chi_samplings(chemical::ResidueType const &concrete_residue, pack::task::ResidueLevelTask const &rlt, bool buried) const | core::pack::rotamers::SingleResidueRotamerLibrary | virtual |
| current_rotamer(RotamerVector &rotamers, core::Size resid, task::PackerTask const &task, chemical::ResidueTypeCOP concrete_residue, conformation::Residue const &existing_residue) const | core::pack::rotamers::SingleResidueRotamerLibrary | virtual |
| 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::SingleResidueRotamerLibrary | virtual |
| 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::SingleResidueRotamerLibrary | virtual |
| fill_missing_atoms(utility::vector1< bool > missing, conformation::ResidueOP rsd, utility::vector1< bool > &missed) const | core::pack::rotamers::SingleLigandRotamerLibrary | private |
| fill_rotamer_vector(pose::Pose const &pose, scoring::ScoreFunction const &scorefxn, pack::task::PackerTask const &task, utility::graph::GraphCOP, chemical::ResidueTypeCOP concrete_residue, conformation::Residue const &existing_residue, utility::vector1< utility::vector1< Real > > const &extra_chi_steps, bool buried, RotamerVector &rotamers) const override | core::pack::rotamers::SingleLigandRotamerLibrary | virtual |
| get_atom_positions() const | core::pack::rotamers::SingleLigandRotamerLibrary | inline |
| get_reference_energy() const | core::pack::rotamers::SingleLigandRotamerLibrary | inline |
| init_from_file(std::string const &filename, chemical::ResidueType const &restype) | core::pack::rotamers::SingleLigandRotamerLibrary | virtual |
| init_from_vector(utility::vector1< NamePosMap > const &coordinates) | core::pack::rotamers::SingleLigandRotamerLibrary | |
| operator==(SingleResidueRotamerLibrary const &) const | core::pack::rotamers::SingleResidueRotamerLibrary | virtual |
| ref_energy_ | core::pack::rotamers::SingleLigandRotamerLibrary | private |
| rotamer_energy(conformation::Residue const &rsd, pose::Pose const &pose, dunbrack::RotamerLibraryScratchSpace &scratch) const override | core::pack::rotamers::SingleLigandRotamerLibrary | virtual |
| rotamer_energy_deriv(conformation::Residue const &rsd, pose::Pose const &pose, dunbrack::RotamerLibraryScratchSpace &scratch) const override | core::pack::rotamers::SingleLigandRotamerLibrary | virtual |
| set_reference_energy(Real ref_E_in) | core::pack::rotamers::SingleLigandRotamerLibrary | inline |
| SingleLigandRotamerLibrary() | core::pack::rotamers::SingleLigandRotamerLibrary | |
| SingleResidueRotamerLibrary() | core::pack::rotamers::SingleResidueRotamerLibrary | inline |
| 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_file(utility::io::ozstream &out) const override | core::pack::rotamers::SingleLigandRotamerLibrary | virtual |
| ~SingleLigandRotamerLibrary() override | core::pack::rotamers::SingleLigandRotamerLibrary | |
| ~SingleResidueRotamerLibrary() override | core::pack::rotamers::SingleResidueRotamerLibrary |
1.8.7