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core::chemical::MutableResidueType Member List

This is the complete list of members for core::chemical::MutableResidueType, including all inherited members.

aa(AA const &type)core::chemical::ResidueTypeBaseinline
aa(std::string const &type)core::chemical::ResidueTypeBaseinline
aa() const core::chemical::ResidueTypeBaseinline
actcoord_atoms() const core::chemical::MutableResidueType
add_actcoord_atom(std::string const &atom)core::chemical::MutableResidueType
add_adduct(Adduct &adduct_in)core::chemical::ResidueTypeBaseinline
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::MutableResidueType
add_atom(std::string const &atom_name="")core::chemical::MutableResidueType
add_atom(Atom const &atom, MutableICoorRecord const &icoor)core::chemical::MutableResidueType
add_atom_alias(std::string const &rosetta_atom, std::string const &alias)core::chemical::MutableResidueType
add_bond(std::string const &atom_name1, std::string const &atom_name2, BondName bondLabel=SingleBond)core::chemical::MutableResidueType
add_bond(VD atom1, VD atom2, BondName bondLabel=SingleBond)core::chemical::MutableResidueType
add_canonical_atom_alias(std::string const &rosetta_atom, std::string const &alias)core::chemical::MutableResidueType
add_chi(Size const chino, VD atom1, VD atom2, VD atom3, VD atom4)core::chemical::MutableResidueType
add_chi(VD atom1, VD atom2, VD atom3, VD atom4)core::chemical::MutableResidueType
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::MutableResidueType
add_chi(std::string const &atom_name1, std::string const &atom_name2, std::string const &atom_name3, std::string const &atom_name4)core::chemical::MutableResidueType
add_chi_rotamer(Size const chino, Real const mean, Real const sdev)core::chemical::MutableResidueType
add_chi_rotamer_to_last_chi(core::Angle const mean, core::Angle const sdev)core::chemical::MutableResidueType
add_cut_bond(std::string const &atom_name1, std::string const &atom_name2)core::chemical::MutableResidueType
add_metalbinding_atom(std::string const &atom_name)core::chemical::MutableResidueType
add_metapatch_connect(std::string const &atom)core::chemical::MutableResidueType
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::MutableResidueType
add_numeric_property(std::string const &tag, core::Real value)core::chemical::ResidueTypeBase
add_orbital(std::string &orbital_name, std::string &orbital_type_name)core::chemical::MutableResidueType
add_orbital_bond(std::string const &atom_name1, std::string const &orbital_name)core::chemical::MutableResidueType
add_property(std::string const &property)core::chemical::ResidueTypeBase
add_property(core::chemical::ResidueProperty const property)core::chemical::ResidueTypeBase
add_residue_connection(std::string const &atom_name)core::chemical::MutableResidueType
add_ring(core::uint const ring_num, utility::vector1< std::string > const &ring_atoms, core::chemical::rings::RingSaturationType const saturation_type=core::chemical::rings::ALIPHATIC)core::chemical::MutableResidueType
add_string_property(std::string const &tag, std::string value)core::chemical::ResidueTypeBase
add_variant_type(VariantType const variant_type)core::chemical::ResidueTypeBase
add_variant_type(std::string const &variant_type)core::chemical::ResidueTypeBase
all_atoms() const core::chemical::MutableResidueTypeinline
assign_internal_coordinates()core::chemical::MutableResidueType
assign_internal_coordinates(core::chemical::VD new_root)core::chemical::MutableResidueType
assign_neighbor_atom()core::chemical::MutableResidueType
atom(VD const atom_vd)core::chemical::MutableResidueType
atom(VD const atom_vd) const core::chemical::MutableResidueType
atom(std::string const &atom_name)core::chemical::MutableResidueType
atom(std::string const &atom_name) const core::chemical::MutableResidueType
atom_alias(std::string const &name) const core::chemical::ResidueTypeBaseinline
atom_aliases() const core::chemical::ResidueTypeBaseinline
atom_aliases()core::chemical::ResidueTypeBaseinlineprotected
atom_base(VD const atm) const core::chemical::MutableResidueType
atom_index(VD const &vd) const core::chemical::MutableResidueType
atom_iterators() const core::chemical::MutableResidueTypeinline
atom_name(VD const vd) const core::chemical::MutableResidueType
atom_name_to_vd_core::chemical::MutableResidueTypeprivate
atom_shadowed_core::chemical::MutableResidueTypeprivate
atom_type(VD const vd) const core::chemical::MutableResidueType
atom_type_set() const core::chemical::ResidueTypeBaseinline
atom_type_set(AtomTypeSetCOP setting)core::chemical::ResidueTypeBaseprotected
atom_type_set_ptr() const core::chemical::ResidueTypeBaseinline
atom_vertex(std::string const &name) const core::chemical::MutableResidueType
atoms_are_bonded(std::string const &atom1, std::string const &atom2) const core::chemical::MutableResidueType
autodetermine_chi_bonds(core::Size max_proton_chi_samples=500)core::chemical::MutableResidueType
backbone_aa(std::string const &type)core::chemical::ResidueTypeBaseinline
backbone_aa(core::chemical::AA const type)core::chemical::ResidueTypeBaseinline
backbone_aa() const core::chemical::ResidueTypeBaseinline
backbone_aa_raw() const core::chemical::ResidueTypeBaseinlineprotected
base_analogue(std::string const &type)core::chemical::ResidueTypeBaseinline
base_analogue() const core::chemical::ResidueTypeBaseinline
base_analogue_raw() const core::chemical::ResidueTypeBaseinlineprotected
base_name() const core::chemical::ResidueTypeBaseinline
base_name(std::string const &base_name_in)core::chemical::ResidueTypeBaseinline
base_type_cop_core::chemical::MutableResidueTypeprivate
bond(ED const ed)core::chemical::MutableResidueType
bond(ED const ed) const core::chemical::MutableResidueType
bond(VD vd1, VD vd2)core::chemical::MutableResidueType
bond(VD vd1, VD vd2) const core::chemical::MutableResidueType
bond(std::string const &atom1, std::string const &atom2)core::chemical::MutableResidueType
bond(std::string const &atom1, std::string const &atom2) const core::chemical::MutableResidueType
bond_iterators() const core::chemical::MutableResidueTypeinline
bond_iterators(VD const &atom) const core::chemical::MutableResidueTypeinline
bonded_heavyatoms(VD const &atom) const core::chemical::MutableResidueType
bonded_hydrogens(VD const &atom) const core::chemical::MutableResidueType
bonded_neighbor_iterators(VD const &atom) const core::chemical::MutableResidueType
bonded_neighbors(VD const &atom) const core::chemical::MutableResidueType
canonical_atom_alias(std::string const &name) const core::chemical::ResidueTypeBaseinline
canonical_atom_aliases() const core::chemical::ResidueTypeBaseinline
canonical_atom_aliases()core::chemical::ResidueTypeBaseinlineprotected
change_bond_type(std::string const &atom_name1, std::string const &atom_name2, BondName const new_bond_label)core::chemical::MutableResidueType
chi_atom_vds(Size const chino) const core::chemical::MutableResidueTypeinline
chi_rotamers(Size const chino) const core::chemical::MutableResidueTypeinline
chi_valid(Size const chino) const core::chemical::MutableResidueType
chis_core::chemical::MutableResidueTypeprivate
clear_chi_rotamers(core::uint const chi_no)core::chemical::MutableResidueType
clear_icoor()core::chemical::MutableResidueType
clear_orbitals()core::chemical::MutableResidueType
clone() const core::chemical::MutableResidueType
copy_atom_info(ResidueType const &source)core::chemical::MutableResidueTypeprivate
copy_other_info(ResidueType const &source)core::chemical::MutableResidueTypeprivate
custom_variant_types() const core::chemical::ResidueTypeBase
defined_adducts() const core::chemical::ResidueTypeBaseinline
defines_custom_rama_prepro_map(bool const pre_proline_position) const core::chemical::ResidueTypeBase
delete_actcoord_atom(std::string const &atom_name)core::chemical::MutableResidueType
delete_atom(std::string const &name)core::chemical::MutableResidueType
delete_atom(VD atom)core::chemical::MutableResidueType
delete_atom_alias(std::string const &alias, bool error=true)core::chemical::MutableResidueType
delete_bond(VD atom1, VD atom2)core::chemical::MutableResidueType
delete_chi(Size const chino)core::chemical::MutableResidueType
delete_child_proton(std::string const &atom)core::chemical::MutableResidueType
delete_metalbinding_atom(std::string const &atom_name)core::chemical::MutableResidueType
delete_nu(core::uint const nu_index)core::chemical::MutableResidueType
delete_property(std::string const &property)core::chemical::ResidueTypeBase
delete_property(core::chemical::ResidueProperty const property)core::chemical::ResidueTypeBase
delete_residue_connection(VD atm)core::chemical::MutableResidueType
delete_ring(core::uint const ring_num)core::chemical::MutableResidueType
delete_terminal_chi()core::chemical::MutableResidueType
dump_vd_info() const core::chemical::MutableResidueType
element_set() const core::chemical::ResidueTypeBaseinline
element_set_ptr() const core::chemical::ResidueTypeBaseinline
enable_custom_variant_types()core::chemical::ResidueTypeBase
fill_ideal_xyz_from_icoor()core::chemical::MutableResidueType
force_nbr_atom_orient() const core::chemical::ResidueTypeBaseinline
force_nbr_atom_orient(bool force_orient)core::chemical::ResidueTypeBaseinline
gasteiger_atom_typeset() const core::chemical::ResidueTypeBase
get_atom_name_to_vd_map() const core::chemical::MutableResidueTypeinline
get_base_type_cop() const overridecore::chemical::MutableResidueTypevirtual
get_disulfide_atom_name() const core::chemical::ResidueTypeBaseinline
get_metal_binding_atoms() const core::chemical::ResidueTypeBaseinline
get_numeric_property(std::string const &tag) const core::chemical::ResidueTypeBase
get_orbitals()core::chemical::ResidueTypeBaseinlineprotected
get_orbitals_index()core::chemical::ResidueTypeBaseinlineprotected
get_rama_prepro_mainchain_torsion_potential_name(bool const pre_proline_position) const core::chemical::ResidueTypeBase
get_rama_prepro_map_file_name(bool const pre_proline_position) const core::chemical::ResidueTypeBase
get_string_property(std::string const &tag) const core::chemical::ResidueTypeBase
graph() const core::chemical::MutableResidueTypeinline
graph_core::chemical::MutableResidueTypeprivate
has(std::string const &atom_name) const overridecore::chemical::MutableResidueTypeinlinevirtual
has(VD const vd) const core::chemical::MutableResidueTypeinline
has_orbital(std::string const &orbital_name) const core::chemical::ResidueTypeBaseinline
has_orbital_types() const core::chemical::ResidueTypeBaseinline
has_property(std::string const &property) const core::chemical::ResidueTypeBase
has_property(ResidueProperty const property) const core::chemical::ResidueTypeBase
has_variant_type(VariantType const variant_type) const core::chemical::ResidueTypeBase
has_variant_type(std::string const &variant_type) const core::chemical::ResidueTypeBase
icoor(VD const atm) const core::chemical::MutableResidueType
interchangeability_group() const core::chemical::ResidueTypeBaseinline
interchangeability_group(std::string const &setting)core::chemical::ResidueTypeBaseinline
is_achiral_backbone() const core::chemical::ResidueTypeBaseinline
is_achiral_sidechain() const core::chemical::ResidueTypeBaseinline
is_backbone_heavyatom(VD atom) const core::chemical::MutableResidueType
is_base_type() const overridecore::chemical::MutableResidueTypevirtual
is_d_aa() const core::chemical::ResidueTypeBaseinline
is_d_rna() const core::chemical::ResidueTypeBaseinline
is_DNA() const core::chemical::ResidueTypeBaseinline
is_l_aa() const core::chemical::ResidueTypeBaseinline
is_l_rna() const core::chemical::ResidueTypeBaseinline
is_metapatched() const core::chemical::ResidueTypeBaseinline
is_peptoid() const core::chemical::ResidueTypeBaseinline
is_polymer() const core::chemical::ResidueTypeBaseinline
is_protein() const core::chemical::ResidueTypeBaseinline
is_proton_chi(Size const chino) const core::chemical::MutableResidueTypeinline
is_r_peptoid() const core::chemical::ResidueTypeBaseinline
is_RNA() const core::chemical::ResidueTypeBaseinline
is_s_peptoid() const core::chemical::ResidueTypeBaseinline
low_ring_conformers(core::uint const ring_num) const core::chemical::MutableResidueTypeinline
low_ring_conformers_core::chemical::MutableResidueTypeprivate
lower_connect() const core::chemical::MutableResidueType
lower_connect_atom() const core::chemical::MutableResidueType
lower_connect_id() const core::chemical::MutableResidueTypeinline
lower_connect_id_core::chemical::MutableResidueTypeprivate
lowest_ring_conformer(core::uint const ring_num) const core::chemical::MutableResidueTypeinline
lowest_ring_conformer_core::chemical::MutableResidueTypeprivate
mainchain_atoms() const core::chemical::MutableResidueTypeinline
mainchain_atoms_core::chemical::MutableResidueTypeprivate
mainchain_potentials_match(ResidueTypeBase const &other) const core::chemical::ResidueTypeBase
metal_binding_atoms()core::chemical::ResidueTypeBaseinlineprotected
mm_atom_types_ptr() const core::chemical::ResidueTypeBaseinline
mode() const core::chemical::ResidueTypeBaseinline
MutableResidueType()core::chemical::MutableResidueTypeprivate
MutableResidueType(AtomTypeSetCOP atom_types, ElementSetCOP element_types, MMAtomTypeSetCOP mm_atom_types, orbitals::OrbitalTypeSetCOP orbital_types)core::chemical::MutableResidueType
MutableResidueType(MutableResidueType const &residue_type)core::chemical::MutableResidueType
MutableResidueType(ResidueType const &residue_type)core::chemical::MutableResidueTypeexplicit
MutableResidueType(MutableResidueType &&residue_type)=defaultcore::chemical::MutableResidueType
n_nus() const core::chemical::MutableResidueTypeinline
n_orbitals() const core::chemical::ResidueTypeBase
n_polymeric_residue_connections() const core::chemical::MutableResidueTypeinline
n_possible_residue_connections() const core::chemical::MutableResidueType
n_proton_chi() const core::chemical::MutableResidueType
n_residue_connections_for_atom(VD const atomid) const core::chemical::MutableResidueType
n_rings() const core::chemical::MutableResidueTypeinline
n_virtual_atoms() const overridecore::chemical::MutableResidueTypevirtual
na_analogue(std::string const &type)core::chemical::ResidueTypeBaseinline
na_analogue() const core::chemical::ResidueTypeBaseinline
na_analogue_raw() const core::chemical::ResidueTypeBaseinlineprotected
name() const core::chemical::ResidueTypeBaseinline
name(std::string const &name_in)core::chemical::ResidueTypeBaseinline
name1() const core::chemical::ResidueTypeBaseinline
name1(char const code)core::chemical::ResidueTypeBaseinline
name3() const core::chemical::ResidueTypeBaseinline
name3(std::string const &name_in)core::chemical::ResidueTypeBaseinline
natoms() const overridecore::chemical::MutableResidueTypeinlinevirtual
nbonds() const overridecore::chemical::MutableResidueTypeinlinevirtual
nbonds(VD atom) const core::chemical::MutableResidueTypeinline
nbr_atom(std::string const &atom_name)core::chemical::MutableResidueTypeinline
nbr_atom(VD vertex)core::chemical::MutableResidueTypeinline
nbr_atom_core::chemical::MutableResidueTypeprivate
nbr_radius(Real const radius)core::chemical::MutableResidueTypeinline
nbr_radius() const core::chemical::MutableResidueTypeinline
nbr_radius_core::chemical::MutableResidueTypeprivate
nbr_vertex() const core::chemical::MutableResidueTypeinline
nchi() const core::chemical::MutableResidueTypeinline
net_formal_charge() const core::chemical::ResidueTypeBaseinline
net_formal_charge(signed long int charge_in)core::chemical::ResidueTypeBaseinline
nheavyatoms() const overridecore::chemical::MutableResidueTypevirtual
nu_atoms(core::uint const nu_index) const core::chemical::MutableResidueTypeinline
nu_atoms_core::chemical::MutableResidueTypeprivate
null_vertexcore::chemical::MutableResidueTypestatic
number_bonded_heavyatoms(VD atomvd) const core::chemical::MutableResidueType
number_bonded_hydrogens(VD atomvd) const core::chemical::MutableResidueType
operator=(MutableResidueType const &src)core::chemical::MutableResidueType
operator=(MutableResidueType &&)=defaultcore::chemical::MutableResidueType
core::chemical::ResidueTypeBase::operator=(ResidueTypeBase const &)=defaultcore::chemical::ResidueTypeBaseprotected
orbital(Size const orbital_index) const core::chemical::ResidueTypeBase
orbital(std::string const &orbital_name) const core::chemical::ResidueTypeBase
orbital_index(std::string const &name) const core::chemical::ResidueTypeBase
orbital_type(Size const orbital_index) const core::chemical::ResidueTypeBase
orbital_types_ptr() const core::chemical::ResidueTypeBaseinline
ordered_atoms_core::chemical::MutableResidueTypeprivate
placeholder_clone() const core::chemical::MutableResidueType
properties() const core::chemical::ResidueTypeBaseinline
proton_chi_extra_samples_for_chi(Size chino) const core::chemical::MutableResidueTypeinline
proton_chi_samples_for_chi(Size chino) const core::chemical::MutableResidueTypeinline
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::MutableResidueType
remap_pdb_atom_names(bool rename)core::chemical::ResidueTypeBaseinline
remap_pdb_atom_names() const core::chemical::ResidueTypeBaseinline
remove_variant_type(VariantType const variant_type)core::chemical::ResidueTypeBase
remove_variant_type(std::string const &variant_type)core::chemical::ResidueTypeBase
rename_atom(VD atom, std::string const &name)core::chemical::MutableResidueType
report_adducts() const core::chemical::ResidueTypeBase
reset_base_type_cop()core::chemical::MutableResidueType
reset_bond_distance_to_atom(std::string const &atm, core::Distance const d)core::chemical::MutableResidueType
reset_mainchain_torsion_potential_names()core::chemical::ResidueTypeBase
residue_connect_atom(Size const resconn_id) const core::chemical::MutableResidueType
residue_connection(Size const i) const core::chemical::MutableResidueType
residue_connection(Size const i)core::chemical::MutableResidueType
residue_connection_is_polymeric(Size const resconn_id) const core::chemical::MutableResidueTypeinline
residue_connections_core::chemical::MutableResidueTypeprivate
ResidueTypeBase()core::chemical::ResidueTypeBaseprotected
ResidueTypeBase(AtomTypeSetCOP atom_types, ElementSetCOP element_types, MMAtomTypeSetCOP mm_atom_types, orbitals::OrbitalTypeSetCOP orbital_types)core::chemical::ResidueTypeBaseprotected
ResidueTypeBase(ResidueTypeBase const &)=defaultcore::chemical::ResidueTypeBaseprotected
ring_atoms(core::uint const ring_num) const core::chemical::MutableResidueTypeinline
ring_atoms_core::chemical::MutableResidueTypeprivate
ring_saturation_type(uint const ring_num) const core::chemical::MutableResidueTypeinline
ring_saturation_types_core::chemical::MutableResidueTypeprivate
root_atom() const core::chemical::MutableResidueTypeinline
root_atom_core::chemical::MutableResidueTypeprivate
rotamer_library_specification(rotamers::RotamerLibrarySpecificationOP)core::chemical::ResidueTypeBase
rotamer_library_specification() const core::chemical::ResidueTypeBase
rotamer_library_specification_nonconst()core::chemical::ResidueTypeBase
set_adduct_flag(bool adduct_in)core::chemical::ResidueTypeBase
set_atom_type(std::string const &name, std::string const &atom_type_name)core::chemical::MutableResidueTypeinline
set_atom_type(VD atom, std::string const &atom_type_name)core::chemical::MutableResidueType
set_backbone_heavyatom(std::string const &name)core::chemical::MutableResidueType
set_base_type_cop(ResidueTypeCOP new_base_type)core::chemical::MutableResidueType
set_disulfide_atom_name(std::string const &n)core::chemical::ResidueTypeBaseinline
set_gasteiger_atom_type(std::string const &atom_name, std::string const &gasteiger_atom_type_name)core::chemical::MutableResidueType
set_gasteiger_atom_type(VD atom, std::string const &gasteiger_atom_type_name)core::chemical::MutableResidueType
set_gasteiger_atom_typeset(gasteiger::GasteigerAtomTypeSetCOP setting)core::chemical::ResidueTypeBase
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::MutableResidueType
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::MutableResidueType
set_icoor(VD 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::MutableResidueType
set_ideal_xyz(std::string const &atm, Vector const &xyz_in)core::chemical::MutableResidueType
set_ideal_xyz(VD atm, Vector const &xyz_in)core::chemical::MutableResidueType
set_low_energy_ring_conformers(core::uint const ring_num, utility::vector1< std::string > const &conformers)core::chemical::MutableResidueType
set_lower_connect_atom(std::string const &atm_name)core::chemical::MutableResidueType
set_lowest_energy_ring_conformer(core::uint const ring_num, std::string const &conformer)core::chemical::MutableResidueType
set_mainchain_atoms(utility::vector1< VD > const &mainchain)core::chemical::MutableResidueTypeinline
set_metapatched()core::chemical::ResidueTypeBaseinline
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::MutableResidueType
set_orbital_typeset(orbitals::OrbitalTypeSetCOP setting)core::chemical::ResidueTypeBaseinline
set_properties(ResiduePropertiesOP properties)core::chemical::ResidueTypeBase
set_proton_chi(Size chino, utility::vector1< Real > const &dihedral_samples, utility::vector1< Real > const &extra_samples)core::chemical::MutableResidueType
set_rama_prepro_mainchain_torsion_potential_name(std::string const &name_in, bool const pre_proline_position)core::chemical::ResidueTypeBase
set_rama_prepro_map_file_name(std::string const &filename_in, bool const pre_proline_position)core::chemical::ResidueTypeBase
set_shadowing_atom(std::string const &atom, std::string const &atom_being_shadowed)core::chemical::MutableResidueType
set_upper_connect_atom(std::string const &atm_name)core::chemical::MutableResidueType
shadow_atoms() const core::chemical::MutableResidueTypeinline
show(std::ostream &output=std::cout, bool output_atomic_details=false) const overridecore::chemical::MutableResidueTypevirtual
show_all_atom_names(std::ostream &out) const overridecore::chemical::MutableResidueTypevirtual
strip_rotamer_library_specification()core::chemical::ResidueTypeBase
update_atom_type_set(AtomTypeSetCOP setting)core::chemical::MutableResidueType
update_icoors_after_connection_deletion(core::Size const conn_id_deleted)core::chemical::MutableResidueTypeprivate
upper_connect() const core::chemical::MutableResidueType
upper_connect_atom() const core::chemical::MutableResidueType
upper_connect_id() const core::chemical::MutableResidueTypeinline
upper_connect_id_core::chemical::MutableResidueTypeprivate
validate_residue_type() const core::chemical::MutableResidueType
variant_type_enums() const core::chemical::ResidueTypeBase
variant_types() const core::chemical::ResidueTypeBase
~MutableResidueType() overridecore::chemical::MutableResidueType