aa(AA const &type) | core::chemical::ResidueType | inline |
aa(std::string const &type) | core::chemical::ResidueType | inline |
aa() const | core::chemical::ResidueType | inline |
aa_ | core::chemical::ResidueType | private |
abase2(Size const atomno) const | core::chemical::ResidueType | |
abase2_ | core::chemical::ResidueType | private |
abase2_indices_ | core::chemical::ResidueType | private |
acceptor_atoms() | core::chemical::ResidueType | |
accpt_pos() const | core::chemical::ResidueType | inline |
accpt_pos_ | core::chemical::ResidueType | private |
accpt_pos_sc() const | core::chemical::ResidueType | inline |
accpt_pos_sc_ | core::chemical::ResidueType | private |
actcoord_atoms() const | core::chemical::ResidueType | inline |
actcoord_atoms_ | core::chemical::ResidueType | private |
actcoord_atoms_indices_ | core::chemical::ResidueType | private |
add_actcoord_atom(std::string const &atom) | core::chemical::ResidueType | |
add_adduct(Adduct &adduct_in) | core::chemical::ResidueType | inline |
add_atom(std::string const &atom_name, std::string const &atom_type_name, std::string const &mm_atom_type_name, Real const charge) | core::chemical::ResidueType | |
add_atom(std::string const &atom_name="") | core::chemical::ResidueType | |
add_atom_alias(std::string const &rosetta_atom, std::string const &alias) | core::chemical::ResidueType | |
add_bond(std::string const &atom_name1, std::string const &atom_name2, BondName bondLabel=SingleBond) | core::chemical::ResidueType | |
add_bond(VD atom1, VD atom2, BondName bondLabel=SingleBond) | core::chemical::ResidueType | |
add_chi(Size const chino, VD atom1, VD atom2, VD atom3, VD atom4) | core::chemical::ResidueType | |
add_chi(VD atom1, VD atom2, VD atom3, VD atom4) | core::chemical::ResidueType | |
add_chi(Size const chino, std::string const &atom_name1, std::string const &atom_name2, std::string const &atom_name3, std::string const &atom_name4) | core::chemical::ResidueType | |
add_chi(std::string const &atom_name1, std::string const &atom_name2, std::string const &atom_name3, std::string const &atom_name4) | core::chemical::ResidueType | |
add_chi_rotamer(Size const chino, Real const mean, Real const sdev) | core::chemical::ResidueType | |
add_chi_rotamer_to_last_chi(core::Angle const mean, core::Angle const sdev) | core::chemical::ResidueType | |
add_cut_bond(std::string const &atom_name1, std::string const &atom_name2) | core::chemical::ResidueType | |
add_metalbinding_atom(std::string const atom_name) | core::chemical::ResidueType | |
add_nu(core::uint const nu_index, std::string const &atom_name1, std::string const &atom_name2, std::string const &atom_name3, std::string const &atom_name4) | core::chemical::ResidueType | |
add_numeric_property(std::string const &tag, core::Real value) | core::chemical::ResidueType | |
add_orbital(std::string &orbital_name, std::string &orbital_type_name) | core::chemical::ResidueType | |
add_orbital_bond(std::string const &atom_name1, std::string const &orbital_name) | core::chemical::ResidueType | |
add_property(std::string const &property) | core::chemical::ResidueType | |
add_residue_connection(std::string const &atom_name) | core::chemical::ResidueType | |
add_string_property(std::string const &tag, std::string value) | core::chemical::ResidueType | |
add_variant_type(VariantType const &variant_type) | core::chemical::ResidueType | |
all_bb_atoms() const | core::chemical::ResidueType | inline |
all_bb_atoms_ | core::chemical::ResidueType | private |
all_sc_atoms() const | core::chemical::ResidueType | inline |
all_sc_atoms_ | core::chemical::ResidueType | private |
apolar_hydrogens() | core::chemical::ResidueType | |
aromatic_atoms() | core::chemical::ResidueType | |
assign_internal_coordinates() | core::chemical::ResidueType | |
assign_internal_coordinates(core::chemical::VD new_root) | core::chemical::ResidueType | |
assign_neighbor_atom() | core::chemical::ResidueType | |
atom(Size const atom_index) | core::chemical::ResidueType | |
atom(Size const atom_index) const | core::chemical::ResidueType | |
atom(std::string const &atom_name) | core::chemical::ResidueType | |
atom(std::string const &atom_name) const | core::chemical::ResidueType | |
atom(VD const atom_vd) | core::chemical::ResidueType | |
atom(VD const atom_vd) const | core::chemical::ResidueType | |
atom_2_residue_connection_map_ | core::chemical::ResidueType | private |
atom_aliases_ | core::chemical::ResidueType | private |
atom_base(Size const atomno) const | core::chemical::ResidueType | |
atom_base(VD const atomno) const | core::chemical::ResidueType | |
atom_base_ | core::chemical::ResidueType | private |
atom_base_indices_ | core::chemical::ResidueType | private |
atom_being_shadowed(Size atom_shadowing) const | core::chemical::ResidueType | inline |
atom_forms_residue_connection(Size const atomid) | core::chemical::ResidueType | inline |
atom_index(std::string const &name) const | core::chemical::ResidueType | |
atom_index(VD const &vd) const | core::chemical::ResidueType | |
atom_is_backbone(Size const atomno) const | core::chemical::ResidueType | inline |
atom_is_hydrogen(Size const atomno) const | core::chemical::ResidueType | inline |
atom_is_polar_hydrogen(Size atomno) const | core::chemical::ResidueType | inline |
atom_iterators() const | core::chemical::ResidueType | inline |
atom_name(Size const index) const | core::chemical::ResidueType | |
atom_name(VD const vd) const | core::chemical::ResidueType | |
atom_name_to_vd_ | core::chemical::ResidueType | private |
atom_shadowed_ | core::chemical::ResidueType | private |
atom_shadowed_indices_ | core::chemical::ResidueType | private |
atom_type(Size const atomno) const | core::chemical::ResidueType | |
atom_type(VD const vd) const | core::chemical::ResidueType | |
atom_type_set() const | core::chemical::ResidueType | inline |
atom_type_set_ptr() const | core::chemical::ResidueType | inline |
atom_types_ | core::chemical::ResidueType | private |
atom_vertex(std::string const &name) const | core::chemical::ResidueType | |
atom_vertex(Size const &atomno) const | core::chemical::ResidueType | |
atoms_are_bonded(core::Size const atomindex1, core::Size const atomindex2) const | core::chemical::ResidueType | |
atoms_last_controlled_by_chi() const | core::chemical::ResidueType | inline |
atoms_last_controlled_by_chi(Size chi) const | core::chemical::ResidueType | inline |
atoms_last_controlled_by_chi_ | core::chemical::ResidueType | private |
atoms_with_orb_index() const | core::chemical::ResidueType | inline |
atoms_with_orb_index_ | core::chemical::ResidueType | private |
atoms_within_one_bond_of_a_residue_connection(Size resconn) const | core::chemical::ResidueType | inline |
atoms_within_one_bond_of_a_residue_connection_ | core::chemical::ResidueType | private |
atoms_within_two_bonds_of_a_residue_connection(Size resconn) const | core::chemical::ResidueType | inline |
atoms_within_two_bonds_of_a_residue_connection_ | core::chemical::ResidueType | private |
attached_H_begin(Size const atom) const | core::chemical::ResidueType | inline |
attached_H_begin() const | core::chemical::ResidueType | inline |
attached_H_begin_ | core::chemical::ResidueType | private |
attached_H_end(Size const atom) const | core::chemical::ResidueType | inline |
attached_H_end() const | core::chemical::ResidueType | inline |
attached_H_end_ | core::chemical::ResidueType | private |
autodetermine_chi_bonds(core::Size max_proton_chi_samples=500) | core::chemical::ResidueType | |
backbone_aa(std::string const &type) | core::chemical::ResidueType | inline |
backbone_aa() const | core::chemical::ResidueType | inline |
backbone_aa_ | core::chemical::ResidueType | private |
base_restype_name(std::string const &in) | core::chemical::ResidueType | inline |
base_restype_name() const | core::chemical::ResidueType | inline |
base_restype_name_ | core::chemical::ResidueType | private |
bond(ED const ed) | core::chemical::ResidueType | |
bond(ED const ed) const | core::chemical::ResidueType | |
bond(std::string const &atom1, std::string const &atom2) | core::chemical::ResidueType | |
bond(std::string const &atom1, std::string const &atom2) const | core::chemical::ResidueType | |
bond_iterators() const | core::chemical::ResidueType | inline |
bond_iterators(VD const &atom) const | core::chemical::ResidueType | inline |
bondangle(Size const bondang) const | core::chemical::ResidueType | inline |
bondangle_atom_sets_ | core::chemical::ResidueType | private |
bondangles_for_atom(Size atomno) const | core::chemical::ResidueType | inline |
bondangles_for_atom_ | core::chemical::ResidueType | private |
bonded_neighbor(Size const atomno) const | core::chemical::ResidueType | |
bonded_neighbor_ | core::chemical::ResidueType | private |
bonded_neighbor_iterators(VD const &atom) const | core::chemical::ResidueType | |
bonded_neighbor_type_ | core::chemical::ResidueType | private |
bonded_neighbor_types(Size const atomno) const | core::chemical::ResidueType | |
bonded_orbitals(Size const atomno) const | core::chemical::ResidueType | inline |
carbohydrate_info() const | core::chemical::ResidueType | |
carbohydrate_info_ | core::chemical::ResidueType | private |
chi_2_proton_chi(Size chi_index) const | core::chemical::ResidueType | inline |
chi_2_proton_chi_ | core::chemical::ResidueType | private |
chi_atom_vds(Size const chino) const | core::chemical::ResidueType | inline |
chi_atoms(Size const chino) const | core::chemical::ResidueType | inline |
chi_atoms() const | core::chemical::ResidueType | inline |
chi_atoms_ | core::chemical::ResidueType | private |
chi_atoms_indices_ | core::chemical::ResidueType | private |
chi_rotamers(Size const chino) const | core::chemical::ResidueType | inline |
chi_rotamers_ | core::chemical::ResidueType | private |
clone() const | core::chemical::ResidueType | |
conformer_set_ | core::chemical::ResidueType | private |
cut_bond_neighbor(Size const atomno) const | core::chemical::ResidueType | inline |
cut_bond_neighbor_ | core::chemical::ResidueType | private |
cut_bond_neighbor_indices_ | core::chemical::ResidueType | private |
debug_dump_icoor() const | core::chemical::ResidueType | |
defined_adducts() const | core::chemical::ResidueType | inline |
defined_adducts_ | core::chemical::ResidueType | private |
delete_atom(std::string const &name) | core::chemical::ResidueType | |
delete_atom(Size const index) | core::chemical::ResidueType | |
delete_atom_alias(std::string const &alias) | core::chemical::ResidueType | |
delete_property(std::string const &property) | core::chemical::ResidueType | |
dihedral(Size const dihe) const | core::chemical::ResidueType | inline |
dihedral_atom_sets_ | core::chemical::ResidueType | private |
dihedrals_for_atom(Size atomno) const | core::chemical::ResidueType | inline |
dihedrals_for_atom_ | core::chemical::ResidueType | private |
dump_vd_info() const | core::chemical::ResidueType | |
element_set() const | core::chemical::ResidueType | inline |
elements_ | core::chemical::ResidueType | private |
fill_ideal_xyz_from_icoor() | core::chemical::ResidueType | |
finalize() | core::chemical::ResidueType | |
finalized_ | core::chemical::ResidueType | private |
first_sidechain_atom() const | core::chemical::ResidueType | inline |
first_sidechain_hydrogen() const | core::chemical::ResidueType | inline |
first_sidechain_hydrogen_ | core::chemical::ResidueType | private |
force_bb_ | core::chemical::ResidueType | private |
force_nbr_atom_orient(bool force_orient) | core::chemical::ResidueType | inline |
force_nbr_atom_orient() const | core::chemical::ResidueType | inline |
force_nbr_atom_orient_ | core::chemical::ResidueType | private |
gasteiger_atom_type(Size const atomno) const | core::chemical::ResidueType | |
gasteiger_atom_types_ | core::chemical::ResidueType | private |
generate_atom_indices() | core::chemical::ResidueType | private |
get_metal_binding_atoms(AtomIndices &metal_binding_indices) const | core::chemical::ResidueType | inline |
get_ncaa_rotlib_n_bin_per_rot(Size n_rot) | core::chemical::ResidueType | inline |
get_ncaa_rotlib_n_bin_per_rot() const | core::chemical::ResidueType | inline |
get_ncaa_rotlib_path() const | core::chemical::ResidueType | inline |
get_numeric_property(std::string const &tag) const | core::chemical::ResidueType | |
get_peptoid_rotlib_n_bin_per_rot(Size n_rot) | core::chemical::ResidueType | inline |
get_peptoid_rotlib_n_bin_per_rot() const | core::chemical::ResidueType | inline |
get_peptoid_rotlib_path() const | core::chemical::ResidueType | inline |
get_RotamerLibraryName() const | core::chemical::ResidueType | |
get_string_property(std::string const &tag) const | core::chemical::ResidueType | |
get_use_ncaa_rotlib() const | core::chemical::ResidueType | inline |
get_use_peptoid_rotlib() const | core::chemical::ResidueType | inline |
graph() const | core::chemical::ResidueType | inline |
graph_ | core::chemical::ResidueType | private |
Haro_index() const | core::chemical::ResidueType | inline |
Haro_index_ | core::chemical::ResidueType | private |
has(std::string const &atom_name) const | core::chemical::ResidueType | inline |
has(VD const vd) const | core::chemical::ResidueType | inline |
has_orbital(std::string const &orbital_name) const | core::chemical::ResidueType | inline |
has_property(std::string const &property) const | core::chemical::ResidueType | |
has_sc_orbitals() const | core::chemical::ResidueType | |
has_variant_type(VariantType const &variant_type) const | core::chemical::ResidueType | |
heavy_atom_with_hydrogens() | core::chemical::ResidueType | |
heavy_atom_with_polar_hydrogens() | core::chemical::ResidueType | |
heavy_atoms() | core::chemical::ResidueType | |
heavyatom_has_polar_hydrogens(Size atomno) const | core::chemical::ResidueType | inline |
heavyatom_is_an_acceptor(Size atomno) const | core::chemical::ResidueType | inline |
Hpol_index() const | core::chemical::ResidueType | inline |
Hpol_index_ | core::chemical::ResidueType | private |
Hpos_apolar() const | core::chemical::ResidueType | inline |
Hpos_apolar_ | core::chemical::ResidueType | private |
Hpos_polar() const | core::chemical::ResidueType | inline |
Hpos_polar_ | core::chemical::ResidueType | private |
Hpos_polar_sc() const | core::chemical::ResidueType | inline |
Hpos_polar_sc_ | core::chemical::ResidueType | private |
hydrogens() | core::chemical::ResidueType | |
icoor(Size const atm) const | core::chemical::ResidueType | |
icoor(VD const atm) const | core::chemical::ResidueType | |
icoor_ | core::chemical::ResidueType | private |
improper_dihedral(Size const dihe) const | core::chemical::ResidueType | inline |
improper_dihedral_atom_sets_ | core::chemical::ResidueType | private |
improper_dihedrals_for_atom(Size atomno) const | core::chemical::ResidueType | inline |
improper_dihedrals_for_atom_ | core::chemical::ResidueType | private |
interchangeability_group() const | core::chemical::ResidueType | inline |
interchangeability_group(std::string setting) | core::chemical::ResidueType | inline |
interchangeability_group_ | core::chemical::ResidueType | private |
is_acetylated_nterminus() const | core::chemical::ResidueType | |
is_adduct() const | core::chemical::ResidueType | |
is_alpha_aa() const | core::chemical::ResidueType | |
is_aromatic() const | core::chemical::ResidueType | |
is_beta_aa() const | core::chemical::ResidueType | |
is_branch_lower_terminus() const | core::chemical::ResidueType | |
is_carbohydrate() const | core::chemical::ResidueType | |
is_charged() const | core::chemical::ResidueType | |
is_coarse() const | core::chemical::ResidueType | |
is_cyclic() const | core::chemical::ResidueType | |
is_d_aa() const | core::chemical::ResidueType | |
is_DNA() const | core::chemical::ResidueType | |
is_l_aa() const | core::chemical::ResidueType | |
is_ligand() const | core::chemical::ResidueType | |
is_lipid() const | core::chemical::ResidueType | |
is_lower_terminus() const | core::chemical::ResidueType | |
is_membrane() const | core::chemical::ResidueType | |
is_metal() const | core::chemical::ResidueType | |
is_metalbinding() const | core::chemical::ResidueType | |
is_methylated_cterminus() const | core::chemical::ResidueType | |
is_NA() const | core::chemical::ResidueType | |
is_peptoid() const | core::chemical::ResidueType | |
is_polar() const | core::chemical::ResidueType | |
is_polymer() const | core::chemical::ResidueType | |
is_protein() const | core::chemical::ResidueType | |
is_proton_chi(Size const chino) const | core::chemical::ResidueType | inline |
is_proton_chi_ | core::chemical::ResidueType | private |
is_RNA() const | core::chemical::ResidueType | |
is_surface() const | core::chemical::ResidueType | |
is_terminus() const | core::chemical::ResidueType | |
is_upper_terminus() const | core::chemical::ResidueType | |
is_virtual(Size const &atomno) const | core::chemical::ResidueType | |
is_virtual_residue() const | core::chemical::ResidueType | |
last_backbone_atom() const | core::chemical::ResidueType | inline |
last_controlling_chi() const | core::chemical::ResidueType | inline |
last_controlling_chi(Size atomno) const | core::chemical::ResidueType | inline |
last_controlling_chi_ | core::chemical::ResidueType | private |
lower_connect() const | core::chemical::ResidueType | |
lower_connect_atom() const | core::chemical::ResidueType | |
lower_connect_id() const | core::chemical::ResidueType | inline |
lower_connect_id_ | core::chemical::ResidueType | private |
mainchain_atom(Size const atm) const | core::chemical::ResidueType | inline |
mainchain_atoms() const | core::chemical::ResidueType | inline |
mainchain_atoms_ | core::chemical::ResidueType | private |
mainchain_atoms_indices_ | core::chemical::ResidueType | private |
mass() const | core::chemical::ResidueType | inline |
mass_ | core::chemical::ResidueType | private |
metal_binding_atoms_ | core::chemical::ResidueType | private |
mm_atom_type(Size const atomno) const | core::chemical::ResidueType | |
mm_atom_types_ | core::chemical::ResidueType | private |
n_backbone_heavyatoms_ | core::chemical::ResidueType | private |
n_hbond_acceptors() const | core::chemical::ResidueType | inline |
n_hbond_acceptors_ | core::chemical::ResidueType | private |
n_hbond_donors() const | core::chemical::ResidueType | inline |
n_hbond_donors_ | core::chemical::ResidueType | private |
n_non_polymeric_residue_connections() const | core::chemical::ResidueType | inline |
n_non_polymeric_residue_connections_ | core::chemical::ResidueType | private |
n_nus() const | core::chemical::ResidueType | inline |
n_orbitals() const | core::chemical::ResidueType | |
n_polymeric_residue_connections() const | core::chemical::ResidueType | inline |
n_polymeric_residue_connections_ | core::chemical::ResidueType | private |
n_proton_chi() const | core::chemical::ResidueType | inline |
n_residue_connections() const | core::chemical::ResidueType | |
n_residue_connections_for_atom(Size const atomid) const | core::chemical::ResidueType | inline |
n_virtual_atoms() const | core::chemical::ResidueType | |
name() const | core::chemical::ResidueType | inline |
name(std::string const &name_in) | core::chemical::ResidueType | inline |
name1() const | core::chemical::ResidueType | inline |
name1(char const code) | core::chemical::ResidueType | inline |
name1_ | core::chemical::ResidueType | private |
name3() const | core::chemical::ResidueType | inline |
name3(std::string const &name_in) | core::chemical::ResidueType | inline |
name3_ | core::chemical::ResidueType | private |
name_ | core::chemical::ResidueType | private |
natoms() const | core::chemical::ResidueType | inline |
nbonds() const | core::chemical::ResidueType | inline |
nbonds(Size atom) const | core::chemical::ResidueType | inline |
nbonds(VD atom) const | core::chemical::ResidueType | inline |
nbr_atom(std::string const &atom_name) | core::chemical::ResidueType | inline |
nbr_atom(VD vertex) | core::chemical::ResidueType | inline |
nbr_atom() const | core::chemical::ResidueType | inline |
nbr_atom_ | core::chemical::ResidueType | private |
nbr_atom_indices_ | core::chemical::ResidueType | private |
nbr_radius(Real const radius) | core::chemical::ResidueType | inline |
nbr_radius() const | core::chemical::ResidueType | inline |
nbr_radius_ | core::chemical::ResidueType | private |
nbr_vertex() const | core::chemical::ResidueType | inline |
nbrs(Size const atomno) const | core::chemical::ResidueType | inline |
ncaa_rotlib_n_bins_per_rot_ | core::chemical::ResidueType | private |
ncaa_rotlib_n_rots_ | core::chemical::ResidueType | private |
ncaa_rotlib_path_ | core::chemical::ResidueType | private |
nchi() const | core::chemical::ResidueType | inline |
ndihe() const | core::chemical::ResidueType | inline |
new_orbital_icoor_data(Size const orbital_index) const | core::chemical::ResidueType | |
nheavyatoms() const | core::chemical::ResidueType | inline |
nheavyatoms_ | core::chemical::ResidueType | private |
nonadduct_variants_match(ResidueType const &other) const | core::chemical::ResidueType | |
nondefault(bool in) | core::chemical::ResidueType | inline |
nondefault_ | core::chemical::ResidueType | private |
note_chi_controls_atom(Size chi, Size atomno) | core::chemical::ResidueType | private |
nu_atoms(core::uint const nu_index) const | core::chemical::ResidueType | inline |
nu_atoms() const | core::chemical::ResidueType | inline |
nu_atoms_ | core::chemical::ResidueType | private |
nu_atoms_indices_ | core::chemical::ResidueType | private |
null_vertex | core::chemical::ResidueType | static |
num_bondangles() const | core::chemical::ResidueType | inline |
number_bonded_heavyatoms(Size const atomno) const | core::chemical::ResidueType | |
number_bonded_hydrogens(Size const atomno) const | core::chemical::ResidueType | inline |
orbital(Size const orbital_index) const | core::chemical::ResidueType | |
orbital(std::string const &orbital_name) const | core::chemical::ResidueType | |
orbital_icoor_data(Size const orbital_index) const | core::chemical::ResidueType | |
orbital_index(std::string const &name) const | core::chemical::ResidueType | |
orbital_type(int const orbital_index) const | core::chemical::ResidueType | |
orbital_types_ | core::chemical::ResidueType | private |
orbitals_ | core::chemical::ResidueType | private |
orbitals_index_ | core::chemical::ResidueType | private |
order_atoms() | core::chemical::ResidueType | private |
ordered_atoms_ | core::chemical::ResidueType | private |
path_distance(Size at1, Size at2) const | core::chemical::ResidueType | inline |
path_distance(Size atom) const | core::chemical::ResidueType | inline |
path_distance_ | core::chemical::ResidueType | private |
path_distances() const | core::chemical::ResidueType | inline |
peptoid_rotlib_n_bins_per_rot_ | core::chemical::ResidueType | private |
peptoid_rotlib_n_rots_ | core::chemical::ResidueType | private |
peptoid_rotlib_path_ | core::chemical::ResidueType | private |
perform_checks() | core::chemical::ResidueType | private |
polar_hydrogens() | core::chemical::ResidueType | |
print_bondangles() const | core::chemical::ResidueType | |
print_dihedrals() const | core::chemical::ResidueType | |
print_pretty_path_distances() const | core::chemical::ResidueType | |
properties() const | core::chemical::ResidueType | |
properties_ | core::chemical::ResidueType | private |
proton_chi_2_chi(Size proton_chi_id) const | core::chemical::ResidueType | inline |
proton_chi_extra_samples(Size proton_chi) const | core::chemical::ResidueType | inline |
proton_chi_extra_samples_ | core::chemical::ResidueType | private |
proton_chi_samples(Size proton_chi) const | core::chemical::ResidueType | inline |
proton_chi_samples_ | core::chemical::ResidueType | private |
proton_chis_ | core::chemical::ResidueType | private |
redefine_chi(Size const chino, std::string const &atom_name1, std::string const &atom_name2, std::string const &atom_name3, std::string const &atom_name4) | core::chemical::ResidueType | |
remap_pdb_atom_names(bool rename) | core::chemical::ResidueType | inline |
remap_pdb_atom_names() const | core::chemical::ResidueType | inline |
remap_pdb_atom_names_ | core::chemical::ResidueType | private |
report_adducts() | core::chemical::ResidueType | |
require_final() const | core::chemical::ResidueType | inline |
requires_actcoord() const | core::chemical::ResidueType | |
residue_connect_atom_index(Size const resconn_id) const | core::chemical::ResidueType | |
residue_connection(Size const i) const | core::chemical::ResidueType | |
residue_connection(Size const i) | core::chemical::ResidueType | |
residue_connection_id_for_atom(Size const atomid) const | core::chemical::ResidueType | inline |
residue_connection_is_polymeric(Size const resconn_id) const | core::chemical::ResidueType | inline |
residue_connections_ | core::chemical::ResidueType | private |
residue_connections_for_atom(Size const atomid) const | core::chemical::ResidueType | inline |
residue_type_set() const | core::chemical::ResidueType | |
residue_type_set(ResidueTypeSetCAP set_in) | core::chemical::ResidueType | |
residue_type_set_ | core::chemical::ResidueType | private |
ResidueType(AtomTypeSetCAP atom_types, ElementSetCAP element_types, MMAtomTypeSetCAP mm_atom_types, orbitals::OrbitalTypeSetCAP orbital_types) | core::chemical::ResidueType | |
ResidueType(ResidueType const &residue_type) | core::chemical::ResidueType | |
ring_conformer_set() const | core::chemical::ResidueType | |
rings() | core::chemical::ResidueType | inline |
rings_and_their_edges_ | core::chemical::ResidueType | private |
rna_residue_type_ | core::chemical::ResidueType | private |
RNA_type() const | core::chemical::ResidueType | |
root_atom() const | core::chemical::ResidueType | inline |
root_atom_ | core::chemical::ResidueType | private |
rotamer_aa(AA const &type) | core::chemical::ResidueType | inline |
rotamer_aa(std::string const &type) | core::chemical::ResidueType | inline |
rotamer_aa() const | core::chemical::ResidueType | inline |
rotamer_aa_ | core::chemical::ResidueType | private |
rotamer_library_name_ | core::chemical::ResidueType | private |
select_orient_atoms(Size ¢er, Size &nbr1, Size &nbr2) const | core::chemical::ResidueType | |
serialized_ | core::chemical::ResidueType | mutable |
set_adduct_flag(bool adduct_in) | core::chemical::ResidueType | |
set_atom_base(std::string const &atom_name1, std::string const &atom_name2) | core::chemical::ResidueType | |
set_atom_base(VD const &atom1, VD const &atom2) | core::chemical::ResidueType | |
set_atom_type(std::string const &atom_name, std::string const &atom_type_name) | core::chemical::ResidueType | inline |
set_atom_type(VD atom, std::string const &atom_type_name) | core::chemical::ResidueType | |
set_backbone_heavyatom(std::string const &name) | core::chemical::ResidueType | |
set_gasteiger_atom_type(std::string const &atom_name, std::string const &gasteiger_atom_type_name) | core::chemical::ResidueType | |
set_gasteiger_typeset(gasteiger::GasteigerAtomTypeSetCOP gasteiger_atom_types) | core::chemical::ResidueType | |
set_icoor(std::string const &atm, Real const phi, Real const theta, Real const d, std::string const &stub_atom1, std::string const &stub_atom2, std::string const &stub_atom3, bool const update_xyz=false) | core::chemical::ResidueType | |
set_icoor(VD const &atm, Real const phi, Real const theta, Real const d, VD const &stub_atom1, VD const &stub_atom2, VD const &stub_atom3, bool const update_xyz=false) | core::chemical::ResidueType | |
set_ideal_xyz(std::string const &atm, Vector const &xyz_in) | core::chemical::ResidueType | |
set_ideal_xyz(Size index, Vector const &xyz_in) | core::chemical::ResidueType | |
set_ideal_xyz(VD atm, Vector const &xyz_in) | core::chemical::ResidueType | |
set_lower_connect_atom(std::string const &atm_name) | core::chemical::ResidueType | |
set_mainchain_atoms(AtomIndices const &mainchain) | core::chemical::ResidueType | |
set_mm_atom_type(std::string const &atom_name, std::string const &mm_atom_type_name) | core::chemical::ResidueType | |
set_ncaa_rotlib_n_bin_per_rot(utility::vector1< Size > n_bins_per_rot) | core::chemical::ResidueType | |
set_ncaa_rotlib_n_rotameric_bins(Size n_rots) | core::chemical::ResidueType | inline |
set_ncaa_rotlib_n_rotameric_bins() const | core::chemical::ResidueType | inline |
set_ncaa_rotlib_path(std::string const &path) | core::chemical::ResidueType | inline |
set_orbital_icoor_id(std::string const &orbital, Real const phi, Real const theta, Real const d, std::string const &stub_atom1, std::string const &stub_atom2, std::string const &stub_atom3) | core::chemical::ResidueType | |
set_peptoid_rotlib_n_bin_per_rot(utility::vector1< Size > n_bins_per_rot) | core::chemical::ResidueType | |
set_peptoid_rotlib_n_rotameric_bins(Size n_rots) | core::chemical::ResidueType | inline |
set_peptoid_rotlib_n_rotameric_bins() const | core::chemical::ResidueType | inline |
set_peptoid_rotlib_path(std::string const &path) | core::chemical::ResidueType | inline |
set_proton_chi(Size chino, utility::vector1< Real > const &dihedral_samples, utility::vector1< Real > const &extra_samples) | core::chemical::ResidueType | |
set_RotamerLibraryName(std::string const &filename) | core::chemical::ResidueType | |
set_shadowing_atom(std::string const &atom, std::string const &atom_being_shadowed) | core::chemical::ResidueType | |
set_upper_connect_atom(std::string const &atm_name) | core::chemical::ResidueType | |
set_use_ncaa_rotlib(bool flag) | core::chemical::ResidueType | inline |
set_use_peptoid_rotlib(bool flag) | core::chemical::ResidueType | inline |
setup_atom_ordering() | core::chemical::ResidueType | private |
show(std::ostream &output=std::cout, bool output_atomic_details=false) const | core::chemical::ResidueType | |
show_all_atom_names(std::ostream &out) const | core::chemical::ResidueType | |
smallest_ring_size(VD const &atom, core::Size const &max_size=999999) const | core::chemical::ResidueType | |
update_actcoord(conformation::Residue &rot) const | core::chemical::ResidueType | |
update_derived_data() | core::chemical::ResidueType | private |
update_last_controlling_chi() | core::chemical::ResidueType | private |
update_residue_connection_mapping() | core::chemical::ResidueType | private |
upper_connect() const | core::chemical::ResidueType | |
upper_connect_atom() const | core::chemical::ResidueType | |
upper_connect_id() const | core::chemical::ResidueType | inline |
upper_connect_id_ | core::chemical::ResidueType | private |
use_ncaa_rotlib_ | core::chemical::ResidueType | private |
use_peptoid_rotlib_ | core::chemical::ResidueType | private |
variant_types() const | core::chemical::ResidueType | |
variants_match(ResidueType const &other) const | core::chemical::ResidueType | |
vd_to_index_ | core::chemical::ResidueType | private |
within1bonds_sets_for_atom(Size atomid) const | core::chemical::ResidueType | inline |
within1bonds_sets_for_atom_ | core::chemical::ResidueType | private |
within2bonds_sets_for_atom(Size atomid) const | core::chemical::ResidueType | inline |
within2bonds_sets_for_atom_ | core::chemical::ResidueType | private |
~ResidueType() | core::chemical::ResidueType | virtual |