triazolamer_dock_design.cc File Reference

#include <core/pose/Pose.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/TaskOperation.fwd.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/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/ncbb/util.hh>
#include <protocols/rigid/RigidBodyMover.hh>
#include <basic/MetricValue.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 <sstream>
#include <core/pack/task/ResidueLevelTask.hh>

Classes
class	TrizaolamerDockDesignMinimizeMover

Namespaces
	tddm

Typedefs
using	TrizaolamerDockDesignMinimizeMoverOP = utility::pointer::shared_ptr< TrizaolamerDockDesignMinimizeMover >
using	TrizaolamerDockDesignMinimizeMoverCOP = utility::pointer::shared_ptr< const TrizaolamerDockDesignMinimizeMover >

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

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

Typedef Documentation

TrizaolamerDockDesignMinimizeMoverCOP

using TrizaolamerDockDesignMinimizeMoverCOP = utility::pointer::shared_ptr<const TrizaolamerDockDesignMinimizeMover>

TrizaolamerDockDesignMinimizeMoverOP

using TrizaolamerDockDesignMinimizeMoverOP = utility::pointer::shared_ptr<TrizaolamerDockDesignMinimizeMover>

Function Documentation

main()

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

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

Variable Documentation

TR

basic::Tracer TR("TDDM") ( "TDDM"  )

static

Referenced by TrizaolamerDockDesignMinimizeMover::apply().