SingleLigandRotamerLibrary.cc File Reference

#include <utility/fixedsizearray1.hh>
#include <core/pack/rotamers/SingleLigandRotamerLibrary.hh>
#include <core/pack/dunbrack/ChiSet.hh>
#include <core/pack/dunbrack/DunbrackRotamer.hh>
#include <core/pack/dunbrack/RotamerLibraryScratchSpace.hh>
#include <core/id/PartialAtomID.hh>
#include <core/chemical/ResidueTypeSet.hh>
#include <core/conformation/Residue.hh>
#include <core/conformation/ResidueFactory.hh>
#include <core/conformation/Residue.functions.hh>
#include <core/io/pdb/pdb_writer.hh>
#include <core/pack/task/PackerTask.hh>
#include <core/pose/Pose.hh>
#include <basic/Tracer.hh>
#include <utility/string_util.hh>
#include <utility/io/izstream.hh>
#include <cstdlib>
#include <fstream>
#include <string>
#include <set>
#include <utility/vector1.hh>
#include <basic/options/option.hh>
#include <basic/options/keys/packing.OptionKeys.gen.hh>

Namespaces
	core
	A class for reading in the atom type properties.
	core::pack
	core::pack::rotamers

Functions
static basic::Tracer	core::pack::rotamers::TR ("core.pack.rotamers.SingleLigandRotamerLibrary")
void	core::pack::rotamers::dump_library (std::string filename, RotamerVector const &rotamers)
conformation::ResidueOP	core::pack::rotamers::dup_residue (conformation::Residue const &existing, conformation::Residue const &conformer)
	Helper function for superposition. More...
void	core::pack::rotamers::rotamer_information_from_PDB_stream (std::istream &conformers_stream, chemical::ResidueType const &restype, utility::vector1< NamePosMap > &atom_positions, core::Real &e_ref)
	read a PDB-formatted string of conformers into the data types held by SingleLigandRotamerLibrary atom_positions and e_ref are return values More...