dock_glycans.cc File Reference

This application performs a bound-bound dock between an oligosaccharide and a carbohydrate-binding protein. More...

#include <devel/init.hh>
#include <protocols/moves/Mover.hh>
#include <protocols/moves/MonteCarlo.hh>
#include <protocols/constraint_movers/ConstraintSetMover.hh>
#include <protocols/minimization_packing/MinMover.hh>
#include <protocols/simple_moves/RingConformationMover.hh>
#include <protocols/simple_moves/BackboneMover.hh>
#include <protocols/minimization_packing/PackRotamersMover.hh>
#include <protocols/simple_task_operations/RestrictToInterface.hh>
#include <protocols/rigid/RigidBodyMover.hh>
#include <protocols/docking/DockingInitialPerturbation.hh>
#include <protocols/docking/util.hh>
#include <protocols/docking/metrics.hh>
#include <protocols/jd2/Job.hh>
#include <protocols/jd2/JobDistributor.hh>
#include <core/types.hh>
#include <core/id/AtomID.hh>
#include <core/chemical/rings/RingConformerSet.hh>
#include <core/kinematics/Edge.hh>
#include <core/kinematics/MoveMap.hh>
#include <core/scoring/ScoreFunction.hh>
#include <core/scoring/ScoreFunctionFactory.hh>
#include <core/scoring/rms_util.hh>
#include <core/conformation/Conformation.hh>
#include <core/conformation/Residue.hh>
#include <core/pose/Pose.hh>
#include <core/pose/PDBInfo.hh>
#include <core/import_pose/import_pose.hh>
#include <core/pack/task/TaskFactory.hh>
#include <core/pack/task/operation/TaskOperations.hh>
#include <utility/pointer/owning_ptr.hh>
#include <utility/vector1.hh>
#include <utility/excn/Exceptions.hh>
#include <numeric/random/random.hh>
#include <numeric/xyzVector.hh>
#include <basic/options/option.hh>
#include <basic/options/keys/in.OptionKeys.gen.hh>
#include <basic/options/keys/constraints.OptionKeys.gen.hh>
#include <basic/options/keys/rings.OptionKeys.gen.hh>
#include <basic/options/keys/run.OptionKeys.gen.hh>
#include <string>
#include <iostream>

Classes
class	DockGlycansProtocol
	The protocol ported from dock_glycans.py. More...

Typedefs
using	DockGlycansProtocolOP = utility::pointer::shared_ptr< DockGlycansProtocol >

Functions
int const	SUCCESS (0)
int const	FAILURE (-1)
int	main (int argc, char *argv[])

Detailed Description

This application performs a bound-bound dock between an oligosaccharide and a carbohydrate-binding protein.

Note

The ligand must be the final chain (or chains, if it has branches).

Typedef Documentation

using DockGlycansProtocolOP = utility::pointer::shared_ptr<DockGlycansProtocol>

Function Documentation

int const FAILURE

(

-

1

)

Referenced by main().

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

References utility::io::oc::cerr, utility::io::oc::cout, test.T009_Exceptions::e, FAILURE(), devel::init(), utility::excn::Exception::msg(), in::file::native(), option, options, basic::options::OptionKeys::docking::ligand::protocol, and SUCCESS().

int const SUCCESS

(

0

)

Referenced by main().