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UBQ_E2_thioester.cc File Reference

this application is a one-shot for modeling the thioester bond between UBQ and an E2 More...

#include <apps/public/scenarios/chemically_conjugated_docking/Gp_extra_bodies.hh>
#include <core/pose/Pose.hh>
#include <core/pose/util.hh>
#include <core/pose/PDBInfo.hh>
#include <core/pose/PDBPoseMap.hh>
#include <core/import_pose/import_pose.hh>
#include <core/conformation/Residue.hh>
#include <core/conformation/Conformation.hh>
#include <core/pack/task/TaskFactory.hh>
#include <core/pack/task/operation/TaskOperations.hh>
#include <protocols/task_operations/RestrictByCalculatorsOperation.hh>
#include <core/scoring/ScoreFunction.hh>
#include <core/scoring/ScoreFunctionFactory.hh>
#include <core/scoring/constraints/util.hh>
#include <core/scoring/constraints/ConstraintSet.hh>
#include <core/kinematics/FoldTree.hh>
#include <core/kinematics/MoveMap.hh>
#include <core/kinematics/AtomTree.hh>
#include <core/id/TorsionID.hh>
#include <core/id/types.hh>
#include <core/chemical/ResidueTypeSet.hh>
#include <core/chemical/ResidueType.hh>
#include <core/conformation/ResidueFactory.hh>
#include <core/chemical/ChemicalManager.hh>
#include <core/chemical/AtomType.hh>
#include <protocols/jd2/JobDistributor.hh>
#include <protocols/jd2/Job.hh>
#include <protocols/loops/Loop.hh>
#include <protocols/loops/Loops.hh>
#include <protocols/moves/MonteCarlo.hh>
#include <protocols/simple_moves/BackboneMover.hh>
#include <protocols/minimization_packing/MinMover.hh>
#include <protocols/moves/MoverContainer.hh>
#include <protocols/minimization_packing/RotamerTrialsMover.hh>
#include <protocols/minimization_packing/TaskAwareMinMover.hh>
#include <protocols/simple_moves/TorsionDOFMover.hh>
#include <protocols/moves/JumpOutMover.hh>
#include <protocols/loops/loop_closure/kinematic_closure/KinematicMover.hh>
#include <protocols/loops/loop_closure/kinematic_closure/KinematicWrapper.hh>
#include <protocols/minimization_packing/PackRotamersMover.hh>
#include <protocols/rigid/RotateJumpAxisMover.hh>
#include <protocols/simple_moves/sidechain_moves/SidechainMover.hh>
#include <basic/MetricValue.hh>
#include <core/pose/metrics/CalculatorFactory.hh>
#include <core/pose/metrics/simple_calculators/InterfaceSasaDefinitionCalculator.hh>
#include <core/pose/metrics/simple_calculators/InterfaceNeighborDefinitionCalculator.hh>
#include <protocols/pose_metric_calculators/NeighborhoodByDistanceCalculator.hh>
#include <protocols/pose_metric_calculators/NeighborsByDistanceCalculator.hh>
#include <protocols/pose_metric_calculators/InterGroupNeighborsCalculator.hh>
#include <protocols/analysis/InterfaceAnalyzerMover.hh>
#include <numeric/conversions.hh>
#include <devel/init.hh>
#include <basic/options/option.hh>
#include <basic/Tracer.hh>
#include <utility/vector1.hh>
#include <utility/exit.hh>
#include <basic/prof.hh>
#include <utility/vector0.hh>
#include <string>
#include <basic/options/keys/run.OptionKeys.gen.hh>
#include <basic/options/keys/in.OptionKeys.gen.hh>
#include <basic/options/keys/AnchoredDesign.OptionKeys.gen.hh>
#include <basic/options/keys/packing.OptionKeys.gen.hh>
#include <basic/options/keys/loops.OptionKeys.gen.hh>
#include <basic/options/keys/chemically_conjugated_docking.OptionKeys.gen.hh>
#include <utility/excn/Exceptions.hh>

Classes

class  UBQ_E2Mover
 

Typedefs

using UBQ_E2MoverOP = utility::pointer::shared_ptr< UBQ_E2Mover >
 

Functions

int main (int argc, char *argv[])
 

Variables

static basic::Tracer TR ("apps.public.scenarios.chemically_conjugated_docking.UBQ_E2_thioester")
 

Detailed Description

this application is a one-shot for modeling the thioester bond between UBQ and an E2

Author
Steven Lewis

Typedef Documentation

using UBQ_E2MoverOP = utility::pointer::shared_ptr<UBQ_E2Mover>

Function Documentation

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

Variable Documentation

basic::Tracer TR("apps.public.scenarios.chemically_conjugated_docking.UBQ_E2_thioester")
static