a3b_hbs_dock_design.cc File Reference

#include <core/pose/Pose.hh>
#include <core/pose/util.hh>
#include <core/pose/ncbb/util.hh>
#include <core/conformation/Conformation.hh>
#include <core/pack/task/TaskFactory.hh>
#include <core/pack/task/PackerTask.hh>
#include <core/pack/task/operation/TaskOperations.hh>
#include <core/scoring/ScoreFunction.hh>
#include <core/scoring/ScoreFunctionFactory.hh>
#include <core/scoring/Energies.hh>
#include <core/scoring/constraints/util.hh>
#include <core/scoring/ScoringManager.fwd.hh>
#include <core/chemical/VariantType.hh>
#include <core/kinematics/FoldTree.hh>
#include <core/kinematics/MoveMap.hh>
#include <utility/pointer/owning_ptr.hh>
#include <protocols/jd2/JobDistributor.hh>
#include <protocols/jd2/Job.hh>
#include <protocols/moves/MoverContainer.hh>
#include <protocols/moves/TrialMover.hh>
#include <protocols/moves/MonteCarlo.hh>
#include <protocols/moves/PyMOLMover.hh>
#include <protocols/moves/RepeatMover.hh>
#include <protocols/minimization_packing/MinMover.hh>
#include <protocols/minimization_packing/PackRotamersMover.hh>
#include <protocols/minimization_packing/RotamerTrialsMover.hh>
#include <protocols/minimization_packing/TaskAwareMinMover.hh>
#include <protocols/simple_moves/BackboneMover.fwd.hh>
#include <protocols/simple_moves/BackboneMover.hh>
#include <protocols/simple_moves/RandomTorsionMover.hh>
#include <protocols/ncbb/a3b_hbs/A3BHbsPatcher.hh>
#include <protocols/rigid/RigidBodyMover.hh>
#include <basic/MetricValue.hh>
#include <core/pose/metrics/CalculatorFactory.hh>
#include <core/pose/metrics/simple_calculators/SasaCalculatorLegacy.hh>
#include <protocols/simple_pose_metric_calculators/NumberHBondsCalculator.hh>
#include <protocols/simple_pose_metric_calculators/BuriedUnsatisfiedPolarsCalculator.hh>
#include <protocols/pose_metric_calculators/PackstatCalculator.hh>
#include <devel/init.hh>
#include <basic/options/util.hh>
#include <basic/options/option.hh>
#include <basic/options/keys/run.OptionKeys.gen.hh>
#include <basic/Tracer.hh>
#include <string>
#include <core/pack/task/ResidueLevelTask.hh>

Classes
class	A3BHbsDockDesignMinimizeMover

Namespaces
	a3b_hddm

Typedefs
using	A3BHbsDockDesignMinimizeMoverOP = utility::pointer::shared_ptr< A3BHbsDockDesignMinimizeMover >
using	A3BHbsDockDesignMinimizeMoverCOP = utility::pointer::shared_ptr< const A3BHbsDockDesignMinimizeMover >

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

Variables
static basic::Tracer	TR ("A3BHDDM")
RealOptionKey const	a3b_hddm::mc_temp ("a3b_hddm::mc_temp")
RealOptionKey const	a3b_hddm::pert_mc_temp ("a3b_hddm::pert_mc_temp")
RealOptionKey const	a3b_hddm::pert_dock_rot_mag ("a3b_hddm::pert_dock_rot_mag")
RealOptionKey const	a3b_hddm::pert_dock_trans_mag ("a3b_hddm::pert_dock_trans_mag")
RealOptionKey const	a3b_hddm::pert_pep_small_temp ("a3b_hddm::pert_pep_small_temp")
RealOptionKey const	a3b_hddm::pert_pep_small_H ("a3b_hddm::pert_pep_small_H")
RealOptionKey const	a3b_hddm::pert_pep_small_L ("a3b_hddm::pert_pep_small_L")
RealOptionKey const	a3b_hddm::pert_pep_small_E ("a3b_hddm::pert_pep_small_E")
RealOptionKey const	a3b_hddm::pert_pep_shear_temp ("a3b_hddm::pert_pep_shear_temp")
RealOptionKey const	a3b_hddm::pert_pep_shear_H ("a3b_hddm::pert_pep_shear_H")
RealOptionKey const	a3b_hddm::pert_pep_shear_L ("a3b_hddm::pert_pep_shear_L")
RealOptionKey const	a3b_hddm::pert_pep_shear_E ("a3b_hddm::pert_pep_shear_E")
IntegerOptionKey const	a3b_hddm::pert_pep_num_rep ("a3b_hddm::pert_pep_num_rep")
IntegerOptionKey const	a3b_hddm::pert_num ("a3b_hddm::pert_num")
IntegerOptionKey const	a3b_hddm::dock_design_loop_num ("a3b_hddm::dock_design_loop_num")
BooleanOptionKey const	a3b_hddm::final_design_min ("a3b_hddm::final_design_min")
BooleanOptionKey const	a3b_hddm::use_soft_rep ("a3b_hddm::use_soft_rep")
BooleanOptionKey const	a3b_hddm::mc_initial_pose ("a3b_hddm::mc_initial_pose")
BooleanOptionKey const	a3b_hddm::hbs_design_first ("a3b_hddm::hbs_design_first")
BooleanOptionKey const	a3b_hddm::pymol ("a3b_hddm::pymol")
BooleanOptionKey const	a3b_hddm::keep_history ("a3b_hddm::keep_history")
RealOptionKey const	a3b_hddm::desn_mc_temp ("a3b_hddm::desn_mc_temp")

Typedef Documentation

A3BHbsDockDesignMinimizeMoverCOP

using A3BHbsDockDesignMinimizeMoverCOP = utility::pointer::shared_ptr<const A3BHbsDockDesignMinimizeMover>

A3BHbsDockDesignMinimizeMoverOP

using A3BHbsDockDesignMinimizeMoverOP = utility::pointer::shared_ptr<A3BHbsDockDesignMinimizeMover>

Function Documentation

main()

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

References argv, a3b_hddm::desn_mc_temp, a3b_hddm::dock_design_loop_num, test.T009_Exceptions::e, a3b_hddm::final_design_min, a3b_hddm::hbs_design_first, basic::init(), a3b_hddm::keep_history, a3b_hddm::mc_initial_pose, a3b_hddm::mc_temp, option, a3b_hddm::pert_dock_rot_mag, a3b_hddm::pert_dock_trans_mag, a3b_hddm::pert_mc_temp, a3b_hddm::pert_num, a3b_hddm::pert_pep_num_rep, a3b_hddm::pert_pep_shear_E, a3b_hddm::pert_pep_shear_H, a3b_hddm::pert_pep_shear_L, a3b_hddm::pert_pep_shear_temp, a3b_hddm::pert_pep_small_E, a3b_hddm::pert_pep_small_H, a3b_hddm::pert_pep_small_L, a3b_hddm::pert_pep_small_temp, a3b_hddm::pymol, and a3b_hddm::use_soft_rep.

Variable Documentation

TR

basic::Tracer TR("A3BHDDM") ( "A3BHDDM"  )

static

Referenced by A3BHbsDockDesignMinimizeMover::apply().