monlib.hpp File Reference

Monomer library - (Refmac) restraints dictionary, which consists of monomers (chemical components), links, and modifications. More...

#include <map>
#include <string>
#include <vector>
#include "cifdoc.hpp"
#include "elem.hpp"
#include "fail.hpp"
#include "model.hpp"
#include "chemcomp.hpp"
#include "logger.hpp"

Go to the source code of this file.

Classes
struct	gemmi::ChemLink
struct	gemmi::ChemLink::Side
struct	gemmi::ChemMod
struct	gemmi::ChemMod::AtomMod
struct	gemmi::EnerLib
struct	gemmi::EnerLib::Atom
struct	gemmi::EnerLib::Bond
struct	gemmi::MonLib

Namespaces
namespace	gemmi

Functions
bool	gemmi::atom_match_with_alias (const std::string &atom_id, const std::string &atom, const ChemComp::Aliasing *aliasing)
MonLib	gemmi::read_monomer_lib (const std::string &monomer_dir, const std::vector< std::string > &resnames, const std::string &libin="", bool ignore_missing=false)

Detailed Description

Monomer library - (Refmac) restraints dictionary, which consists of monomers (chemical components), links, and modifications.

Definition in file monlib.hpp.