Rosetta  2020.46
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core::scoring::rna::chemical_shift::RNA_ChemicalShiftPotential Member List

This is the complete list of members for core::scoring::rna::chemical_shift::RNA_ChemicalShiftPotential, including all inherited members.

accuracy_weights_core::scoring::rna::chemical_shift::RNA_ChemicalShiftPotentialprivate
alphas_core::scoring::rna::chemical_shift::RNA_ChemicalShiftPotentialprivate
assert_is_calc_chem_shift_atom(ChemicalShiftData const &CS_data) const core::scoring::rna::chemical_shift::RNA_ChemicalShiftPotentialprivate
atom_has_exp_chemical_shift_data(core::conformation::Residue const &rsd, Size const atomno) const core::scoring::rna::chemical_shift::RNA_ChemicalShiftPotentialprivate
cs_verbose_mode_core::scoring::rna::chemical_shift::RNA_ChemicalShiftPotentialprivate
eval_atom_derivative(id::AtomID const &atom_id, pose::Pose const &pose, kinematics::DomainMap const &domain_map, EnergyMap const &weights, Vector &F1, Vector &F2) const core::scoring::rna::chemical_shift::RNA_ChemicalShiftPotential
EXP_chem_shift_data_list_core::scoring::rna::chemical_shift::RNA_ChemicalShiftPotentialprivate
finalize_total_energy(pose::Pose const &pose, EnergyMap &totals) const core::scoring::rna::chemical_shift::RNA_ChemicalShiftPotential
get_accuracy_weight(std::string const &key) const core::scoring::rna::chemical_shift::RNA_ChemicalShiftPotential
get_alpha(std::string const &key) const core::scoring::rna::chemical_shift::RNA_ChemicalShiftPotential
get_best_exp_to_calc_chem_shift_mapping(utility::vector1< ChemicalShiftData > const &EXP_chem_shift_data_entry, utility::vector1< Real > const &calc_chem_shift_entry, utility::vector1< Real > &actual_exp_chem_shift_entry, utility::vector1< bool > &do_include_CS_data) const core::scoring::rna::chemical_shift::RNA_ChemicalShiftPotentialprivate
get_calc_chem_shift_value(ChemicalShiftData const &CS_data, pose::Pose const &pose) const core::scoring::rna::chemical_shift::RNA_ChemicalShiftPotentialprivate
get_calc_chem_shift_value_larmord(ChemicalShiftData const &CS_data, pose::Pose const &pose) const core::scoring::rna::chemical_shift::RNA_ChemicalShiftPotentialprivate
get_calc_chem_shift_value_nuchemics(ChemicalShiftData const &CS_data, pose::Pose const &pose) const core::scoring::rna::chemical_shift::RNA_ChemicalShiftPotentialprivate
get_chemical_shift_energy(utility::vector1< utility::vector1< Real > > const &calc_chem_shift_list) const core::scoring::rna::chemical_shift::RNA_ChemicalShiftPotentialprivate
get_deriv_for_chemical_shift(id::AtomID const &atom_id, ChemicalShiftData const &CS_data, pose::Pose const &pose, Vector &f1, Vector &f2, utility::vector1< std::string > atom_names, std::string atom_name_in, std::string atom_name_whitespace_in, bool is_source_atom, bool is_neighbor_atom) const core::scoring::rna::chemical_shift::RNA_ChemicalShiftPotentialprivate
get_deriv_for_chemical_shift_data_atom(pose::Pose const &pose, conformation::Residue const &CS_data_rsd, Size const CS_data_atomno, Vector &f1, Vector &f2) const core::scoring::rna::chemical_shift::RNA_ChemicalShiftPotentialprivate
get_magnetic_anisotropy_deriv_for_src_atom(pose::Pose const &pose, conformation::Residue const &ma_source_rsd, Size const ma_source_atomno, Vector &f1, Vector &f2) const core::scoring::rna::chemical_shift::RNA_ChemicalShiftPotentialprivate
get_magnetic_anisotropy_deriv_for_src_base(pose::Pose const &pose, conformation::Residue const &ma_source_rsd, Size const chi1_torsion_atomnno, Vector &f1, Vector &f2) const core::scoring::rna::chemical_shift::RNA_ChemicalShiftPotentialprivate
get_matching_CS_data_entry(Size const seq_num, std::string const &in_atom_name) const core::scoring::rna::chemical_shift::RNA_ChemicalShiftPotentialprivate
get_neighbor_atom(std::string const &key) const core::scoring::rna::chemical_shift::RNA_ChemicalShiftPotential
get_realatomdata_index(std::string const &in_atom_name, chemical::AA const res_aa) const core::scoring::rna::chemical_shift::RNA_ChemicalShiftPotentialprivate
get_reference_shift(std::string const &key) const core::scoring::rna::chemical_shift::RNA_ChemicalShiftPotential
get_ring_current_deriv_for_src_base(pose::Pose const &pose, conformation::Residue const &rc_source_rsd, Size const chi1_torsion_atomnno, Vector &f1, Vector &f2) const core::scoring::rna::chemical_shift::RNA_ChemicalShiftPotentialprivate
get_total_exp_chemical_shift_data_points() const core::scoring::rna::chemical_shift::RNA_ChemicalShiftPotential
H5_prime_mode_core::scoring::rna::chemical_shift::RNA_ChemicalShiftPotentialprivate
import_exp_chemical_shift_data(std::string const &exp_CS_data_filename, utility::vector1< core::Size > &include_res_list, utility::vector1< utility::vector1< std::string > > const &proton_entry_list)core::scoring::rna::chemical_shift::RNA_ChemicalShiftPotentialprivate
include_magnetic_anisotropy_effect_core::scoring::rna::chemical_shift::RNA_ChemicalShiftPotentialprivate
include_ring_current_effect_core::scoring::rna::chemical_shift::RNA_ChemicalShiftPotentialprivate
indicate_required_context_graphs(utility::vector1< bool > &) const core::scoring::rna::chemical_shift::RNA_ChemicalShiftPotentialinline
Is_magnetic_anisotropy_source_atom(core::conformation::Residue const &rsd, Size const atomno) const core::scoring::rna::chemical_shift::RNA_ChemicalShiftPotentialprivate
larmord_beta_core::scoring::rna::chemical_shift::RNA_ChemicalShiftPotentialprivate
larmord_distance_cutoff_core::scoring::rna::chemical_shift::RNA_ChemicalShiftPotentialprivate
load_larmord_neighbor_atoms(std::string const &filename)core::scoring::rna::chemical_shift::RNA_ChemicalShiftPotential
load_larmord_parameters(std::string const &filename)core::scoring::rna::chemical_shift::RNA_ChemicalShiftPotential
load_larmord_reference_shifts(std::string const &filename)core::scoring::rna::chemical_shift::RNA_ChemicalShiftPotential
load_larmord_weights(std::string const &filename)core::scoring::rna::chemical_shift::RNA_ChemicalShiftPotential
neighbor_atoms_core::scoring::rna::chemical_shift::RNA_ChemicalShiftPotentialprivate
nuchemics_mode_core::scoring::rna::chemical_shift::RNA_ChemicalShiftPotentialprivate
path_to_parameter_files_core::scoring::rna::chemical_shift::RNA_ChemicalShiftPotentialprivate
reference_shifts_core::scoring::rna::chemical_shift::RNA_ChemicalShiftPotentialprivate
RNA_ChemicalShiftPotential()core::scoring::rna::chemical_shift::RNA_ChemicalShiftPotential
rna_cs_params_core::scoring::rna::chemical_shift::RNA_ChemicalShiftPotentialprivate
string_list(std::string const &string_one) const core::scoring::rna::chemical_shift::RNA_ChemicalShiftPotentialprivate
string_list(std::string const &string_one, std::string const &string_two) const core::scoring::rna::chemical_shift::RNA_ChemicalShiftPotentialprivate
total_exp_chemical_shift_data_points_core::scoring::rna::chemical_shift::RNA_ChemicalShiftPotentialprivate
update_calc_chem_shift_list(pose::Pose const &pose, utility::vector1< utility::vector1< Real > > &cal_chem_shift_list) const core::scoring::rna::chemical_shift::RNA_ChemicalShiftPotentialprivate
verbose_core::scoring::rna::chemical_shift::RNA_ChemicalShiftPotentialprivate