cov_hbs.cc File Reference

Sidechain conjugation to acryl amides. More...

#include <iostream>
#include <fstream>
#include <string>
#include <devel/init.hh>
#include <core/types.hh>
#include <core/pose/Pose.hh>
#include <core/pose/PDBInfo.hh>
#include <core/pose/util.hh>
#include <core/pose/ncbb/util.hh>
#include <core/scoring/ScoreFunctionFactory.hh>
#include <core/scoring/ScoreFunction.hh>
#include <core/scoring/Energies.hh>
#include <core/scoring/EnergyMap.hh>
#include <core/chemical/ResidueProperties.hh>
#include <core/chemical/ChemicalManager.hh>
#include <core/chemical/ResidueTypeSet.hh>
#include <core/conformation/Residue.hh>
#include <core/kinematics/MoveMap.hh>
#include <core/kinematics/FoldTree.hh>
#include <core/id/TorsionID.hh>
#include <core/id/types.hh>
#include <core/pack/task/TaskFactory.hh>
#include <core/pack/task/operation/TaskOperations.hh>
#include <core/pack/task/operation/OperateOnCertainResidues.hh>
#include <core/pack/task/PackerTask.hh>
#include <core/pack/pack_rotamers.hh>
#include <core/scoring/constraints/ConstraintSet.hh>
#include <core/scoring/constraints/util.hh>
#include <core/scoring/constraints/AtomPairConstraint.hh>
#include <core/scoring/func/HarmonicFunc.hh>
#include <core/scoring/func/FadeFunc.hh>
#include <core/scoring/func/SumFunc.hh>
#include <protocols/jd2/JobDistributor.hh>
#include <protocols/jd2/Job.hh>
#include <numeric/conversions.hh>
#include <numeric/xyz.functions.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/simple_moves/sidechain_moves/SidechainMover.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 <protocols/rigid/RB_geometry.hh>
#include <utility/vector1.hh>
#include <utility/file/FileName.hh>
#include <utility/file/file_sys_util.hh>
#include <utility/excn/Exceptions.hh>
#include <basic/Tracer.hh>
#include <basic/options/option.hh>
#include <basic/options/keys/in.OptionKeys.gen.hh>
#include <basic/options/keys/out.OptionKeys.gen.hh>
#include <basic/options/keys/chemical.OptionKeys.gen.hh>
#include <basic/options/keys/packing.OptionKeys.gen.hh>
#include <numeric/random/random.hh>

Classes
class	CovalentPeptidomimeticDockDesign

Typedefs
using	CovalentPeptidomimeticDockDesignOP = utility::pointer::shared_ptr< CovalentPeptidomimeticDockDesign >
using	CovalentPeptidomimeticDockDesignCOP = utility::pointer::shared_ptr< const CovalentPeptidomimeticDockDesign >

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

Variables
static basic::Tracer	TR ("CovDD")

Detailed Description

Sidechain conjugation to acryl amides.

Author

Andy Watkins (amw57.nosp@m.9@ny.nosp@m.u.edu)

Typedef Documentation

CovalentPeptidomimeticDockDesignCOP

using CovalentPeptidomimeticDockDesignCOP = utility::pointer::shared_ptr<const CovalentPeptidomimeticDockDesign>

CovalentPeptidomimeticDockDesignOP

using CovalentPeptidomimeticDockDesignOP = utility::pointer::shared_ptr<CovalentPeptidomimeticDockDesign>

Function Documentation

main()

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

References argv, basic::options::OptionKeys::in::constraints_from_link_records, test.T009_Exceptions::e, basic::init(), option, and basic::options::OptionKeys::out::file::write_pdb_link_records.

Variable Documentation

TR

basic::Tracer TR("CovDD") ( "CovDD"  )

static

Referenced by CovalentPeptidomimeticDockDesign::apply(), and CovalentPeptidomimeticDockDesign::update_hydrogens().