![]() |
Rosetta Core
2014.16.56682
|
#include <ResidueTypeKinWriter.hh>
Public Member Functions | |
| ResidueTypeKinWriter () | |
| virtual | ~ResidueTypeKinWriter () |
| void | write_kin_header (std::ostream &ostr, core::chemical::ResidueType const &restype, core::Size which_kin=1) const |
| write the header for the kinemage to center on this residue More... | |
| void | write_restype (std::ostream &ostr, core::chemical::ResidueType const &restype, core::Size which_kin=1) const |
| Write out settings for a particular ResidueType This should be similar to the kinemage files that molfile_to_params.py writes. More... | |
| core::chemical::ResidueTypeKinWriter::ResidueTypeKinWriter | ( | ) |
|
virtual |
| void core::chemical::ResidueTypeKinWriter::write_kin_header | ( | std::ostream & | ostr, |
| core::chemical::ResidueType const & | restype, | ||
| core::Size | which_kin = 1 |
||
| ) | const |
write the header for the kinemage to center on this residue
References core::chemical::ResidueType::name(), core::chemical::ResidueType::name1(), and core::chemical::ResidueType::name3().
Referenced by write_restype().
| void core::chemical::ResidueTypeKinWriter::write_restype | ( | std::ostream & | ostr, |
| core::chemical::ResidueType const & | restype, | ||
| core::Size | which_kin = 1 |
||
| ) | const |
Write out settings for a particular ResidueType This should be similar to the kinemage files that molfile_to_params.py writes.
References core::io::serialization::at(), core::chemical::ResidueType::atom(), core::chemical::ResidueType::atom_base(), core::chemical::ResidueType::atom_type(), core::chemical::ResidueType::bonded_neighbor(), core::chemical::Atom::charge(), core::chemical::ResidueType::chi_atoms(), core::chemical::get_element_color(), core::chemical::Atom::ideal_xyz(), core::chemical::ResidueType::mainchain_atoms(), core::chemical::ResidueType::mm_atom_type(), core::chemical::MMAtomType::name(), core::chemical::Atom::name(), core::chemical::ResidueType::natoms(), core::chemical::ResidueType::nbr_atom(), core::chemical::ResidueType::nbr_radius(), core::chemical::ResidueType::nchi(), neighbors, write_kin_header(), numeric::xyzVector< class >::x(), numeric::xyzVector< class >::y(), and numeric::xyzVector< class >::z().
1.8.7