|
| 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) |
| | function to write out a topology file given a residue type, can be used to More...
|
| |
- Author
- Phil Bradley
Definition in file residue_io.hh.