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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)
PoseOP get_n_mer_polyalanine ( Size  n)
MoveMapOP get_phi_psi_mm ( Size  n)

References loops_kic::mm.

Referenced by main().

int main ( int  argc,
char *  argv[] 
)
void randomly_open_pose_loop ( Pose pose,
Loop const &  loop 
)

References numeric::random::rg(), and numeric::random::uniform().

Referenced by main().

Variable Documentation

string const PATH = "output/"

Referenced by harvest_scores(), and main().