residue_io.hh File Reference

#include <core/chemical/ResidueType.fwd.hh>
#include <core/chemical/AtomTypeSet.fwd.hh>
#include <core/chemical/ElementSet.fwd.hh>
#include <core/chemical/MMAtomTypeSet.fwd.hh>
#include <core/chemical/ResidueTypeSet.fwd.hh>
#include <core/chemical/orbitals/OrbitalTypeSet.fwd.hh>
#include <utility/io/izstream.fwd.hh>
#include <string>

Namespaces
	core
	A class for defining atom parameters, known as atom_types.
	core::chemical

Functions
AtomIndices	core::chemical::define_mainchain_atoms (ResidueTypeOP rsd)
	If polymer, determine a list of main chain atoms by shortest path from LOWER to UPPER. More...
ResidueTypeOP	core::chemical::read_topology_file (std::string const &filename, chemical::AtomTypeSetCAP atom_types, chemical::ElementSetCAP elements, chemical::MMAtomTypeSetCAP mm_atom_types, chemical::orbitals::OrbitalTypeSetCAP orbital_atom_types,chemical::ResidueTypeSetCAP rsd_type_set)
	virtual constructor for ResidueType objects More...
ResidueTypeOP	core::chemical::read_topology_file (utility::io::izstream &data, chemical::AtomTypeSetCAP atom_types, chemical::ElementSetCAP elements, chemical::MMAtomTypeSetCAP mm_atom_types, chemical::orbitals::OrbitalTypeSetCAP orbital_atom_types, chemical::ResidueTypeSetCAP rsd_type_set)
void	core::chemical::write_topology_file (ResidueType const &rsd)
	writes a .params file from a given ResidueType object More...

Detailed Description

Author

Phil Bradley