#include <protocols/docking/DockingProtocol.hh>
#include <numeric/random/random.hh>
#include <core/chemical/AA.hh>
#include <core/conformation/Residue.hh>
#include <core/kinematics/FoldTree.hh>
#include <core/pose/Pose.hh>
#include <core/pose/util.hh>
#include <core/types.hh>
#include <protocols/rigid/RB_geometry.hh>
#include <core/io/pdb/build_pose_as_is.hh>
#include <core/io/pdb/pdb_writer.hh>
#include <devel/init.hh>
#include <fstream>
#include <iostream>
#include <string>
#include <core/import_pose/import_pose.hh>
#include <core/kinematics/Jump.hh>

Typedefs
typedef std::map< std::string, std::map< std::string, numeric::xyzVector< Real > > >	Coords

typedef vector1< std::string >	Strings

Functions
std::string	readFile (std::string fname)

void	rb_test ()

int	main (int argc, char *argv[])
	main docking protocol More...

Detailed Description

Author: Modified by Sergey Lyskov

Typedef Documentation

◆ Coords

typedef std::map< std::string, std::map< std::string, numeric::xyzVector< Real > > > Coords

◆ Strings

typedef vector1< std::string > Strings

Function Documentation

◆ main()

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

main docking protocol

Main function for docking. Includes the following steps: 0) prepack mode: prepare a starting structure for later runs OR: 1) perturbation of decoy (see docking_perturb_decoy): changes orientation of docking partners 2) low-resolution search: refine structure with rigid-body, centroid-mode MC cycles 3) high-resolution search: further refinement of structure in fullatom mode

References argv, utility::io::oc::cout, test.T009_Exceptions::e, basic::init(), and rb_test().

◆ rb_test()

void rb_test ( )

References utility::io::oc::cout, loops::cutpoint, basic::options::OptionKeys::matdes::dock::dock, docking::dock_jump, create_a3b_hbs::f, basic::options::OptionKeys::mp::geometry, create_a3b_hbs::i, create_a3b_hbs::nres, beta_nonlocal::pose, pyrosetta.distributed.io::pose_from_file, and readFile().

Referenced by main(), and my_main().

◆ readFile()

std::string readFile ( std::string fname )

References utility::io::oc::cout, evaluate_beta_mutants::file, PREcst::fname, basic::options::OptionKeys::in::in, and res.

Referenced by rb_test().

Typedefs

Functions