gemmi::Residue struct
#include <gemmi/model.hpp>

Contents

Base classes

struct ResidueId

Public types

using OptionalNum = SeqId::OptionalNum

Public static functions

static auto what() -> const char*

Constructors, destructors, conversion operators

Residue() defaulted
Residue(const ResidueId& rid) explicit noexcept

Public functions

auto children() -> std::vector<Atom>&
auto children() const -> const std::vector<Atom>&
auto find_by_element(El el) const -> const Atom*
auto find_atom(const std::string& atom_name, char altloc, El el = El::X) const -> const Atom*
auto find_atom(const std::string& atom_name, char altloc, El el = El::X) -> Atom*
auto find_atom_iter(const std::string& atom_name, char altloc, El el = El::X) -> std::vector<Atom>::iterator
auto get(const std::string& atom_name) -> AtomGroup
auto sole_atom(const std::string& atom_name) -> Atom&
auto get_ca() const -> const Atom*
auto get_c() const -> const Atom*
auto get_n() const -> const Atom*
auto get_p() const -> const Atom*
auto get_o3prim() const -> const Atom*
auto same_conformer(const Residue& other) const -> bool
auto has_peptide_bond_to(const Residue& next) const -> bool
auto is_water() const -> bool
auto first_conformer() -> UniqProxy<Atom>
auto first_conformer() const -> ConstUniqProxy<Atom>

Public variables

std::string subchain
OptionalNum label_seq
EntityType entity_type
char het_flag
bool is_cis
std::vector<Atom> atoms