test_CCD_loop_closure.cc File Reference

Integration test application for testing CCD loop closure. More...

#include <devel/init.hh>
#include <core/types.hh>
#include <core/chemical/ChemicalManager.fwd.hh>
#include <core/pose/Pose.hh>
#include <core/pose/annotated_sequence.hh>
#include <core/kinematics/MoveMap.hh>
#include <core/id/TorsionID.hh>
#include <protocols/loops/Loop.hh>
#include <protocols/loops/loops_main.hh>
#include <protocols/loops/loop_closure/ccd/CCDLoopClosureMover.hh>
#include <numeric/random/random.hh>
#include <utility/string_util.hh>
#include <utility/excn/Exceptions.hh>
#include <iostream>

Functions
PoseOP	get_n_mer_polyalanine (Size n)
PoseOP	get_n_mer_maltose (Size n)
MoveMapOP	get_phi_psi_mm (Size n)
Loop	get_loop_for_n_mer (Size n)
void	randomly_open_pose_loop (Pose &pose, Loop const &loop)
int	main (int argc, char *argv[])

Variables
string const	PATH = "output/"

Detailed Description

Integration test application for testing CCD loop closure.

This application... ...creates polyalanine and polyglucose (maltose) chains of varying lengths, ...randomly opens the chains, and ...uses CCD to close the broken loops.

Author

Labonte JWLab.nosp@m.onte.nosp@m.@jhu..nosp@m.edu

Function Documentation

Loop get_loop_for_n_mer

(

Size

n

)

Referenced by main().

PoseOP get_n_mer_maltose

(

Size

n

)

References test.T150_PyMOL_Integration::i, demo.D010_Pose_structure::pose, and basic::options::OptionKeys::relax::sequence.

Referenced by main().

PoseOP get_n_mer_polyalanine

(

Size

n

)

References test.T150_PyMOL_Integration::i, demo.D010_Pose_structure::pose, and basic::options::OptionKeys::relax::sequence.

Referenced by main().

MoveMapOP get_phi_psi_mm

(

Size

n

)

References test.T150_PyMOL_Integration::i, and loops_kic::mm.

Referenced by main().

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

References utility::io::oc::cout, utility::excn::Exception::display(), test.T009_Exceptions::e, get_loop_for_n_mer(), get_n_mer_maltose(), get_n_mer_polyalanine(), get_phi_psi_mm(), devel::init(), test.G200_Module_Region::loop, loops_kic::mm, PATH, demo.D010_Pose_structure::pose, randomly_open_pose_loop(), and numeric::interpolation::to_string().

void randomly_open_pose_loop	(	Pose &	pose,
		Loop const &	loop
	)

References test.T150_PyMOL_Integration::i, numeric::random::rg(), and numeric::random::uniform().

Referenced by main().

Variable Documentation

string const PATH = "output/"

Referenced by harvest_scores(), and main().