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Rosetta
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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/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 <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 <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>#include <core/pack/task/PackerTask.hh>#include <core/pack/task/ResidueLevelTask.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") |
this application is a one-shot for modeling the thioester bond between UBQ and an E2
| using UBQ_E2MoverOP = utility::pointer::shared_ptr<UBQ_E2Mover> |
| int main | ( | int | argc, |
| char * | argv[] | ||
| ) |
References argv, test.T009_Exceptions::e, basic::init(), basic::options::OptionKeys::in::file::l, basic::options::option, basic::prof_reset(), basic::prof_show(), basic::options::OptionKeys::in::file::s, basic::options::OptionKeys::in::file::silent, TR, basic::options::OptionKeys::inout::dbms::user, and utility_exit_with_message.
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1.9.1