gemmi/chemcomp_xyz.hpp file

Contents

Namespaces

namespace gemmi

Enums

enum class ChemCompModel { Xyz, Example, Ideal }

Functions

auto make_residue_from_chemcomp_block(const cif::Block& block, ChemCompModel kind) -> Residue
auto make_model_from_chemcomp_block(const cif::Block& block, ChemCompModel kind) -> Model
auto make_structure_from_chemcomp_block(const cif::Block& block) -> Structure
auto check_chemcomp_block_number(const cif::Document& doc) -> int
auto make_structure_from_chemcomp_doc(const cif::Document& doc) -> Structure