DockPDBIntoDensityMover.cc File Reference

protocols for folding into density More...

#include <protocols/electron_density/DockPDBIntoDensityMover.hh>
#include <protocols/electron_density/DockIntoDensityUtils.hh>
#include <protocols/electron_density/util.hh>
#include <basic/options/keys/edensity.OptionKeys.gen.hh>
#include <basic/options/keys/in.OptionKeys.gen.hh>
#include <basic/options/keys/OptionKeys.hh>
#include <basic/options/keys/out.OptionKeys.gen.hh>
#include <basic/options/option_macros.hh>
#include <basic/options/option.hh>
#include <core/pose/init_id_map.hh>
#include <core/chemical/AtomType.hh>
#include <core/conformation/Residue.hh>
#include <core/id/AtomID.hh>
#include <core/id/AtomID_Map.hh>
#include <core/io/silent/BinarySilentStruct.hh>
#include <core/io/silent/SilentFileData.hh>
#include <core/io/silent/SilentStructFactory.hh>
#include <core/io/AtomInformation.hh>
#include <core/io/StructFileRep.hh>
#include <core/io/StructFileRepOptions.hh>
#include <core/io/pdb/pdb_writer.hh>
#include <core/import_pose/import_pose.hh>
#include <core/kinematics/MoveMap.hh>
#include <core/pack/task/operation/TaskOperations.hh>
#include <core/pack/task/TaskFactory.hh>
#include <core/pose/util.hh>
#include <core/scoring/constraints/CoordinateConstraint.hh>
#include <core/scoring/constraints/ConstraintSet.hh>
#include <core/scoring/electron_density/ElectronDensity.hh>
#include <core/scoring/electron_density/util.hh>
#include <core/scoring/func/FlatHarmonicFunc.hh>
#include <core/scoring/ScoreFunction.hh>
#include <core/scoring/ScoreFunctionFactory.hh>
#include <core/scoring/rms_util.hh>
#include <core/types.hh>
#include <core/chemical/AtomTypeSet.hh>
#include <core/scoring/electron_density/xray_scattering.hh>
#include <core/pose/Pose.hh>
#include <core/pose/PDBInfo.hh>
#include <numeric/xyzMatrix.hh>
#include <numeric/xyzVector.hh>
#include <numeric/xyzVector.io.hh>
#include <numeric/fourier/SHT.hh>
#include <ObjexxFCL/format.hh>
#include <protocols/electron_density/SetupForDensityScoringMover.hh>
#include <protocols/moves/Mover.fwd.hh>
#include <protocols/minimization_packing/MinMover.hh>
#include <protocols/minimization_packing/PackRotamersMover.hh>
#include <protocols/simple_moves/SwitchResidueTypeSetMover.hh>
#include <utility/file/file_sys_util.hh>
#include <utility/io/ozstream.hh>
#include <utility/string_util.hh>
#include <utility/vector0.hh>
#include <utility/vector1.hh>
#include <utility/excn/Exceptions.hh>
#include <basic/Tracer.hh>
#include <sys/stat.h>

Namespaces
	protocols
	The instance of Loops contained by AbrelaxApplication should be replaced by a LoopsOP.
	protocols::electron_density

Functions
static basic::Tracer	protocols::electron_density::TR ("protocols.electron_density.DockPDBIntoDensityMover")
MinimizePoseIntoDensityOptions	protocols::electron_density::create_minimize_pose_into_density_options (core::pose::Pose const &pose, core::Real const dens_wt)
void	protocols::electron_density::dump_to_silent (core::pose::Pose const &pose, std::string const &fname, std::string tag, bool overwrite)
bool	protocols::electron_density::check_if_file_exists (const std::string &name)

Detailed Description

protocols for folding into density

Re-tooled DockIntoDensityMover to support parallel execution, and more intermediate debugging steps at the cost of only working with PDBs and not fragments.

Author

Danny Farrell