Rosetta 3.3
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src/apps/public/scenarios/UBQ_E2_thioester.cc File Reference

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

#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/PackerTask.hh>
#include <core/pack/task/operation/TaskOperations.hh>
#include <protocols/toolbox/task_operations/RestrictByCalculatorsOperation.hh>
#include <core/scoring/ScoreFunction.hh>
#include <core/scoring/ScoreFunctionFactory.hh>
#include <core/scoring/constraints/AtomPairConstraint.hh>
#include <core/scoring/constraints/BoundConstraint.hh>
#include <core/scoring/constraints/AmbiguousConstraint.hh>
#include <core/kinematics/FoldTree.hh>
#include <core/kinematics/MoveMap.hh>
#include <core/kinematics/util.hh>
#include <core/chemical/ResidueTypeSet.hh>
#include <core/chemical/ResidueType.hh>
#include <core/conformation/ResidueFactory.hh>
#include <core/chemical/ChemicalManager.hh>
#include <protocols/jd2/JobDistributor.hh>
#include <protocols/jd2/Job.hh>
#include <protocols/loops/Loops.hh>
#include <protocols/loops/loops_main.hh>
#include <protocols/moves/MonteCarlo.hh>
#include <protocols/moves/BackboneMover.hh>
#include <protocols/moves/MinMover.hh>
#include <protocols/moves/MoverContainer.hh>
#include <protocols/moves/RotamerTrialsMover.hh>
#include <protocols/moves/TaskAwareMinMover.hh>
#include <protocols/moves/OutputMovers.hh>
#include <protocols/moves/TorsionDOFMover.hh>
#include <protocols/moves/JumpOutMover.hh>
#include <protocols/moves/KinematicMover.hh>
#include <protocols/loops/KinematicWrapper.hh>
#include <protocols/moves/PackRotamersMover.hh>
#include <basic/MetricValue.hh>
#include <core/pose/metrics/CalculatorFactory.hh>
#include <protocols/toolbox/pose_metric_calculators/InterfaceSasaDefinitionCalculator.hh>
#include <protocols/toolbox/pose_metric_calculators/InterfaceNeighborDefinitionCalculator.hh>
#include <protocols/toolbox/pose_metric_calculators/NeighborhoodByDistanceCalculator.hh>
#include <protocols/toolbox/pose_metric_calculators/NeighborsByDistanceCalculator.hh>
#include <protocols/anchored_design/InterfaceAnalyzerMover.hh>
#include <numeric/conversions.hh>
#include <numeric/xyz.io.hh>
#include <protocols/init.hh>
#include <basic/options/option.hh>
#include <basic/Tracer.hh>
#include <utility/vector1.hh>
#include <utility/exit.hh>
#include <basic/prof.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>

Classes

class  UBQ_E2Mover

Typedefs

typedef
utility::pointer::owning_ptr
< UBQ_E2Mover
UBQ_E2MoverOP

Functions

int main (int argc, char *argv[])

Variables

basic::options::FileOptionKey const UBQpdb ("UBQpdb")
basic::options::FileOptionKey const E2pdb ("E2pdb")
basic::options::IntegerOptionKey
const 
E2_residue ("E2_residue")
basic::options::RealOptionKey const SASAfilter ("SASAfilter")
basic::options::RealOptionKey const scorefilter ("scorefilter")
basic::options::RealOptionKey const constraintweight ("constraintweight")
static basic::Tracer TR ("apps.public.scenarios.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


Function Documentation

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

Variable Documentation

Referenced by main(), and UBQ_E2Mover::UBQ_E2Mover().

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