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

Contents

Public static functions

static auto what() -> const char*

Constructors, destructors, conversion operators

Chain(std::string cname) explicit noexcept

Public functions

auto whole() -> ResidueSpan
auto whole() const -> ConstResidueSpan
template<typename F>
auto get_residue_span(F&& func) -> ResidueSpan
template<typename F>
auto get_residue_span(F&& func) const -> ConstResidueSpan
auto get_polymer() -> ResidueSpan
auto get_polymer() const -> ConstResidueSpan
auto get_ligands() -> ResidueSpan
auto get_ligands() const -> ConstResidueSpan
auto get_waters() -> ResidueSpan
auto get_waters() const -> ConstResidueSpan
auto get_subchain(const std::string& s) -> ResidueSpan
auto get_subchain(const std::string& s) const -> ConstResidueSpan
auto subchains() -> std::vector<ResidueSpan>
auto subchains() const -> std::vector<ConstResidueSpan>
auto find_residue_group(SeqId id) -> ResidueGroup
auto find_residue_group(SeqId id) const -> ConstResidueGroup
auto find_residue(const ResidueId& rid) -> Residue*
auto find_residue(const ResidueId& rid) const -> const Residue*
auto find_or_add_residue(const ResidueId& rid) -> Residue*
void append_residues(std::vector<Residue> new_resi, int min_sep = 0)
auto children() -> std::vector<Residue>&
auto children() const -> const std::vector<Residue>&
auto is_first_in_group(const Residue& res) const -> bool
auto previous_residue(const Residue& res) const -> const Residue*
auto next_residue(const Residue& res) const -> const Residue*
auto previous_bonded_aa(const Residue& res) const -> const Residue*
auto next_bonded_aa(const Residue& res) const -> const Residue*
auto first_conformer() -> UniqProxy<Residue>
auto first_conformer() const -> ConstUniqProxy<Residue>

Public variables

std::string name
std::vector<Residue> residues