david_find_best_contact_pocket.cc File Reference

#include <iostream>
#include <core/pose/Pose.hh>
#include <core/conformation/Conformation.hh>
#include <core/conformation/Residue.hh>
#include <devel/init.hh>
#include <core/pose/PDBInfo.hh>
#include <core/scoring/ScoreFunction.hh>
#include <core/scoring/ScoreFunctionFactory.hh>
#include <protocols/pockets/PocketGrid.hh>
#include <basic/options/util.hh>
#include <basic/options/option.hh>
#include <basic/options/option_macros.hh>
#include <basic/Tracer.hh>
#include <core/scoring/Energies.hh>
#include <core/scoring/EnergyGraph.hh>
#include <numeric/xyz.functions.hh>
#include <numeric/xyzMatrix.hh>
#include <numeric/random/random.hh>
#include <string>
#include <basic/options/keys/out.OptionKeys.gen.hh>
#include <core/import_pose/import_pose.hh>
#include <utility/excn/Exceptions.hh>
#include <fstream>

Functions
bool	is_interface_residue (core::pose::Pose const &pose, core::Size resno)
void	define_interface (core::pose::Pose &input_pose)
int	main (int argc, char *argv[])
	General testing code. More...

Variables
static basic::Tracer	TR ("apps.pilot.david_recompute_score_and_rmsd.main")
std::set< std::string >	interface

Function Documentation

define_interface()

void define_interface

(

core::pose::Pose &

input_pose

)

References test.T200_Scoring::emap, utility::options::OptionKeys::options::exit, utility::graph::Edge::get_node(), interface, create_a3b_hbs::j, lig_res_num, utility::graph::Node::lower_edge_list_end(), predPRE::resnum, oop_conformations::scorefxn, and TR.

Referenced by main().

is_interface_residue()

bool is_interface_residue	(	core::pose::Pose const &	pose,
		core::Size	resno
	)

References interface, and beta_nonlocal::pose.

Referenced by main().

main()

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

General testing code.

References oop_conformations::angles, argv, utility::io::oc::cout, define_interface(), test.T009_Exceptions::e, basic::options::OptionKeys::score::empty, lactamize::filename, fprintf(), create_a3b_hbs::i, assign_charges::ifs, basic::options::OptionKeys::in::in, basic::init(), enumerate_junctions::int, interface, is_interface_residue(), create_a3b_hbs::j, NEW_OPT, option, erraser_single_res_analysis::out, drrafter_rna::output_tag, pyrosetta.distributed.io::pose_from_file, predPRE::resnum, basic::options::start_file(), numeric::random::uniform(), kmeans_adaptive_kernel_density_bb_dependent_rotlib::v, x, numeric::x_rotation_matrix_degrees(), predPRE::y, numeric::y_rotation_matrix_degrees(), predPRE::z, and numeric::z_rotation_matrix_degrees().

Variable Documentation

interface

std::set<std::string> interface

Referenced by define_interface(), is_interface_residue(), and main().

TR

basic::Tracer TR("apps.pilot.david_recompute_score_and_rmsd.main") ( "apps.pilot.david_recompute_score_and_rmsd.main"  )

static

Referenced by define_interface().