r_build_hotspot_loops.cc File Reference

#include <protocols/loop_build/LoopBuild.hh>
#include <protocols/moves/MoverStatus.hh>
#include <core/types.hh>
#include <core/kinematics/Jump.hh>
#include <core/pose/Pose.hh>
#include <basic/Tracer.hh>
#include <core/io/pdb/pdb_writer.hh>
#include <core/scoring/ScoreFunction.hh>
#include <core/chemical/ChemicalManager.hh>
#include <core/pose/util.hh>
#include <protocols/simple_filters/RmsdEvaluator.hh>
#include <protocols/evaluation/EvaluatorFactory.hh>
#include <protocols/loops/loops_main.hh>
#include <protocols/loops/util.hh>
#include <protocols/loops/Loops.hh>
#include <utility/excn/Exceptions.hh>
#include <core/conformation/Conformation.hh>
#include <core/conformation/ResidueFactory.hh>
#include <core/conformation/Residue.hh>
#include <core/chemical/ResidueTypeSet.hh>
#include <core/chemical/ResidueType.hh>
#include <core/kinematics/FoldTree.hh>
#include <protocols/hotspot_hashing/HotspotStubSet.hh>
#include <protocols/hotspot_hashing/HotspotStub.hh>
#include <protocols/protein_interface_design/movers/SetupHotspotConstraintsMover.hh>
#include <protocols/filters/Filter.hh>
#include <protocols/filters/BasicFilters.hh>
#include <protocols/simple_filters/ConstraintScoreCutoffFilter.hh>
#include <core/scoring/constraints/Constraint.hh>
#include <core/scoring/constraints/ConstraintSet.hh>
#include <core/scoring/func/HarmonicFunc.hh>
#include <core/scoring/constraints/BackboneStubConstraint.hh>
#include <core/scoring/constraints/AmbiguousConstraint.hh>
#include <core/io/silent/silent.fwd.hh>
#include <core/io/silent/SilentStructFactory.hh>
#include <protocols/symmetry/SetupForSymmetryMover.hh>
#include <basic/options/keys/symmetry.OptionKeys.gen.hh>
#include <core/fragment/FragSet.hh>
#include <utility/exit.hh>
#include <core/scoring/electron_density/util.hh>
#include <protocols/evaluation/PoseEvaluator.hh>
#include <protocols/evaluation/util.hh>
#include <protocols/jd2/JobDistributor.hh>
#include <protocols/moves/MoverContainer.hh>
#include <fstream>
#include <iostream>
#include <string>
#include <core/id/AtomID_Map.hh>
#include <core/chemical/AA.hh>
#include <core/pack/task/TaskFactory.hh>
#include <core/pack/task/ResfileReader.hh>
#include <core/pack/task/PackerTask.hh>
#include <core/pack/task/PackerTask.fwd.hh>
#include <core/pack/pack_rotamers.hh>
#include <basic/options/keys/out.OptionKeys.gen.hh>
#include <basic/options/keys/loops.OptionKeys.gen.hh>
#include <basic/options/keys/in.OptionKeys.gen.hh>
#include <basic/options/keys/edensity.OptionKeys.gen.hh>
#include <protocols/relax/loop/LoopRelaxMover.hh>
#include <core/import_pose/import_pose.hh>
#include <protocols/electron_density/SetupForDensityScoringMover.hh>
#include <utility/vector1.hh>
#include <basic/options/option.hh>
#include <basic/options/option_macros.hh>
#include <basic/options/keys/run.OptionKeys.gen.hh>
#include <basic/options/keys/hotspot.OptionKeys.gen.hh>
#include <basic/options/keys/packing.OptionKeys.gen.hh>
#include <devel/init.hh>

Classes
class	ApplyFilterMover
	utility function to add hotspot bbcst's to a pose More...
class	SetupHotspotMover

Functions
void	register_options ()
ConstraintScoreCutoffFilterOP	setup_hotspot_filter (core::pose::Pose const &pose, std::string filename)
int	LoopBuild_main ()
int	main (int argc, char *argv[])

Variables
static basic::Tracer	tr ("main")

Function Documentation

LoopBuild_main()

int LoopBuild_main

(

)

References basic::options::OptionKeys::loops::build_initial, basic::options::OptionKeys::chemical::chemical, basic::options::OptionKeys::constraints::constraints, basic::options::OptionKeys::in::file::dssp, basic::options::OptionKeys::loops::frag_files, basic::options::OptionKeys::in::file::fullatom, basic::Tracer::Info, basic::options::OptionKeys::loops::input_pdb, basic::options::OptionKeys::loops::intermedrelax, basic::options::OptionKeys::edensity::mapfile, loops::my_loops, basic::options::OptionKeys::in::file::native, docking::native_pose, basic::options::option, beta_nonlocal::pose, pyrosetta.distributed.io::pose_from_file, kic_runner::refine, basic::options::OptionKeys::loops::refine, basic::options::OptionKeys::abinitio::relax, basic::options::OptionKeys::loops::relax, kic_runner::remodel, basic::options::OptionKeys::loops::remodel, basic::options::OptionKeys::frags::scoring::scoring, test.Workshop5test::seq_mover, set_secstruct_from_psipred_ss2(), setup_hotspot_filter(), basic::options::OptionKeys::symmetry::symmetry_definition, basic::options::OptionKeys::loops::timer, tr, basic::options::OptionKeys::inout::dbms::user, and value.

Referenced by LoopBuild_main_local(), and main().

main()

int main	(	int	argc,
		char *	argv[]
	)

References argv, test.T009_Exceptions::e, basic::init(), LoopBuild_main(), and register_options().

register_options()

void register_options

(

)

References NEW_OPT.

Referenced by main().

setup_hotspot_filter()

ConstraintScoreCutoffFilterOP setup_hotspot_filter	(	core::pose::Pose const &	pose,
		std::string	filename
	)

References basic::options::OptionKeys::constraints::constraints, lactamize::filename, SetupHotspotMover::generate_csts(), basic::Tracer::Info, beta_nonlocal::pose, and tr.

Referenced by LoopBuild_main().

Variable Documentation

tr

basic::Tracer tr("main") ( "main"  )

static

Referenced by SetupHotspotMover::apply(), SetupHotspotMover::generate_csts(), LoopBuild_main(), and setup_hotspot_filter().