file
monlib.hpp
Contents
- Reference
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