#include <devel/init.hh>
#include <basic/options/option.hh>
#include <basic/options/option_macros.hh>
#include <basic/options/keys/in.OptionKeys.gen.hh>
#include <basic/options/keys/score.OptionKeys.gen.hh>
#include <core/chemical/ChemicalManager.hh>
#include <core/chemical/ResidueTypeSet.hh>
#include <core/conformation/ResidueFactory.hh>
#include <core/scoring/ScoreFunction.hh>
#include <core/scoring/ScoreFunctionFactory.hh>
#include <core/scoring/Energies.hh>
#include <core/pose/Pose.hh>
#include <core/conformation/Residue.hh>
#include <core/import_pose/import_pose.hh>
#include <core/io/pdb/pdb_writer.hh>
#include <core/pack/rotamer_set/RotamerSet.hh>
#include <core/pack/rotamer_set/RotamerSets.hh>
#include <core/pack/dunbrack/RotamerLibrary.hh>
#include <core/pack/dunbrack/DunbrackRotamer.hh>
#include <core/pack/dunbrack/SingleResidueDunbrackLibrary.hh>
#include <utility/string_util.hh>
#include <utility/io/izstream.hh>
#include <utility/vector1.hh>
#include <iostream>
#include <fstream>
#include <cmath>

Functions
utility::vector1< Real >	set_chival (Size nchi, Size &nbin)

void	scan_energy (pose::Pose &pose, int const &resno, Size const &nchi, scoring::ScoreFunctionOP sfxn, std::string const &prefix)

void	scan_rotamer (pose::Pose const &pose, scoring::ScoreFunctionOP const &sfxn, Size const &ir)

void	scan_neutral (pose::Pose const &pose, scoring::ScoreFunctionOP sfxn, std::string const &prefix)

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

Function Documentation

◆ main()

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

References argv, utility::io::oc::cout, pyrosetta.io::create_score_function, basic::init(), NEW_OPT, option, beta_nonlocal::pose, pyrosetta.distributed.io::pose_from_file(), create_a3b_hbs::prefix, in::file::s(), scan_energy(), scan_neutral(), scan_rotamer(), challenge::ss, and score::weights().

◆ scan_energy()

void scan_energy	(	pose::Pose &	pose,
		int const &	resno,
		Size const &	nchi,
		scoring::ScoreFunctionOP	sfxn,
		std::string const &	prefix
	)

References enumerate_junctions::int, beta_nonlocal::pose, create_a3b_hbs::prefix, set_chival(), and test.T120_core::sfxn.

Referenced by main(), and scan_neutral().

◆ scan_neutral()

void scan_neutral	(	pose::Pose const &	pose,
		scoring::ScoreFunctionOP	sfxn,
		std::string const &	prefix
	)

References lactamize::filename, create_a3b_hbs::ii, beta_nonlocal::pose, create_a3b_hbs::prefix, scan_energy(), test.T120_core::sfxn, and challenge::ss.

Referenced by main().

◆ scan_rotamer()

void scan_rotamer	(	pose::Pose const &	pose,
		scoring::ScoreFunctionOP const &	sfxn,
		Size const &	ir
	)

References utility::io::oc::cout, create_a3b_hbs::j, beta_nonlocal::jj, beta_nonlocal::pose, create_a3b_hbs::score, and test.T120_core::sfxn.

Referenced by main().

◆ set_chival()

utility::vector1< Real > set_chival	(	Size	nchi,
		Size &	nbin
	)

References enumerate_junctions::int.