gemmi/monlib.hpp file

Contents

Namespaces

namespace gemmi
namespace gemmi::impl

Classes

struct gemmi::ChemLink
struct gemmi::ChemLink::Side
struct gemmi::ChemMod
struct gemmi::ChemMod::AtomMod
struct gemmi::MonLib
struct gemmi::BondIndex
struct gemmi::BondIndex::AtomImage

Typedefs

using read_cif_func = cif::Document(*)(const std::string&)

Functions

void add_distinct_altlocs(const Residue& res, std::string& altlocs)
auto read_link_restraints(const cif::Block& block_) -> Restraints
auto chemcomp_group_to_kind(const std::string& group) -> ResidueInfo::Kind
template<typename T>
void insert_comp_list(cif::Document& doc, T& ri_map)
void insert_chemlinks(cif::Document& doc, std::map<std::string, ChemLink>& links)
auto chem_mod_type(const std::string& str) -> int
auto read_restraint_modifications(const cif::Block& block_) -> Restraints
void insert_chemmods(cif::Document& doc, std::map<std::string, ChemMod>& mods)
template<typename T>
auto add_or_set(std::vector<T>& items, typename std::vector<T>::iterator it, const T& x) -> T&
auto read_monomer_cif(const std::string& path, read_cif_func read_cif) -> MonLib
auto read_monomer_lib(std::string monomer_dir, const std::vector<std::string>& resnames, read_cif_func read_cif) -> MonLib