whitney_identify_epitope.cc File Reference

#include <iostream>
#include <iomanip>
#include <core/pose/Pose.hh>
#include <core/conformation/Residue.hh>
#include <core/chemical/AA.hh>
#include <devel/init.hh>
#include <core/io/pdb/pdb_writer.hh>
#include <core/pack/task/TaskFactory.hh>
#include <core/pack/task/PackerTask.hh>
#include <protocols/simple_task_operations/RestrictToInterface.hh>
#include <core/pack/pack_rotamers.hh>
#include <core/pose/PDBInfo.hh>
#include <core/scoring/ScoreFunction.hh>
#include <core/scoring/ScoreFunctionFactory.hh>
#include <basic/options/util.hh>
#include <basic/options/option.hh>
#include <basic/options/after_opts.hh>
#include <basic/options/option_macros.hh>
#include <basic/Tracer.hh>
#include <core/scoring/Energies.hh>
#include <core/scoring/rms_util.hh>
#include <utility/vector1.hh>
#include <utility/io/ozstream.hh>
#include <core/import_pose/import_pose.hh>

Functions
void	add_scores (core::pose::Pose &pose, utility::vector1< core::Real > scores, core::Real kT, char const epitope_chain, char const const_chain)
int	main (int argc, char *argv[])
	General testing code. More...

Variables
static basic::Tracer	TR ("apps.pilot.whitney_identify_epitope.main")

Function Documentation

add_scores()

void add_scores	(	core::pose::Pose &	pose,
		utility::vector1< core::Real >	scores,
		core::Real	kT,
		char const	epitope_chain,
		char const	const_chain
	)

References utility::io::ozstream::clear(), utility::io::ozstream::close(), create_a3b_hbs::i, create_a3b_hbs::j, basic::options::OptionKeys::relax::range::kT, max(), min(), test.Workshop4test::new_score, create_a3b_hbs::nres, utility::io::ozstream::open(), erraser_single_res_analysis::out, beta_nonlocal::pose, legacy_score_vs_rmsd::scores, and TR.

Referenced by main().

main()

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

General testing code.

References add_scores(), argv, utility::vectorL< L, T, A >::at(), utility::io::oc::cerr, pyrosetta::create_score_function, test.T009_Exceptions::e, utility::options::OptionKeys::options::exit, create_a3b_hbs::f, create_a3b_hbs::i, basic::init(), interface, docking::native_pose, NEW_OPT, option, pyrosetta.distributed.io::pose_from_file, cal_NBR_radius::res_num, oop_conformations::scorefxn, basic::options::start_files(), vancomycin::task, test.G200_Module_Region::tf, and TR.

Variable Documentation

TR

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

static

Referenced by add_scores(), and main().