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

Contents

Public functions

auto find_spacegroup() const -> const SpaceGroup*
auto get_info(const std::string& tag) const -> const std::string&
auto first_model() -> Model&
auto first_model() const -> const Model&
auto find_model(const std::string& model_name) -> Model*
auto find_or_add_model(const std::string& model_name) -> Model&
void remove_model(const std::string& model_name)
void renumber_models()
auto get_entity(const std::string& ent_id) -> Entity*
auto get_entity(const std::string& ent_id) const -> const Entity*
auto get_entity_of(const ConstResidueSpan& sub) const -> const Entity*
auto get_entity_of(const ConstResidueSpan& sub) -> Entity*
auto find_assembly(const std::string& assembly_id) -> Assembly*
auto find_connection_by_name(const std::string& conn_name) -> Connection*
auto find_connection_by_cra(const const_CRA& cra1, const const_CRA& cra2) -> Connection*
auto find_connection(const AtomAddress& a1, const AtomAddress& a2) -> Connection*
auto get_ncs_multiplier() const -> double
void merge_chain_parts(int min_sep = 0)
auto children() -> std::vector<Model>&
auto children() const -> const std::vector<Model>&
void setup_cell_images()

Public variables

std::string name
UnitCell cell
std::string spacegroup_hm
std::vector<Model> models
std::vector<NcsOp> ncs
std::vector<Entity> entities
std::vector<Connection> connections
std::vector<Helix> helices
std::vector<Sheet> sheets
std::vector<Assembly> assemblies
Metadata meta
bool has_origx
Transform origx
std::map<std::string, std::string> info
std::vector<std::string> raw_remarks
double resolution
CoorFormat input_format