rama_energy.cc File Reference

#include <devel/init.hh>
#include <basic/options/option.hh>
#include <basic/options/keys/in.OptionKeys.gen.hh>
#include <basic/options/keys/score.OptionKeys.gen.hh>
#include <core/pose/Pose.hh>
#include <core/pose/annotated_sequence.hh>
#include <core/conformation/Residue.hh>
#include <core/chemical/ChemicalManager.hh>
#include <core/chemical/ResidueTypeSet.hh>
#include <core/scoring/ScoreFunction.hh>
#include <core/scoring/ScoreType.hh>
#include <core/scoring/ScoreFunctionFactory.hh>
#include <core/scoring/Energies.hh>
#include <core/scoring/EnergyMap.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/RotamerLibraryScratchSpace.fwd.hh>
#include <core/pack/dunbrack/SingleResidueDunbrackLibrary.hh>
#include <utility/vector1.hh>
#include <utility/io/izstream.hh>
#include <iostream>
#include <fstream>
#include <sstream>

Functions
pose::Pose	pose_from_scratch (chemical::AA aa)
void	scan_Evalue (chemical::AA aa, scoring::ScoreFunctionOP sfxn, chemical::ResidueTypeSetCAP rsd_set)
int	main (int argc, char *argv[])

Function Documentation

main()

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

References argv, pyrosetta::create_score_function, basic::init(), option, scan_Evalue(), and score::weights().

pose_from_scratch()

pose::Pose pose_from_scratch

(

chemical::AA

aa

)

References aa, beta_nonlocal::pose, basic::options::OptionKeys::in::file::residue_type_set, docking::s, and basic::options::OptionKeys::relax::sequence.

Referenced by scan_Evalue().

scan_Evalue()

void scan_Evalue	(	chemical::AA	aa,
		scoring::ScoreFunctionOP	sfxn,
		chemical::ResidueTypeSetCAP	rsd_set
	)

References aa, utility::io::oc::cout, test.T200_Scoring::emap, create_a3b_hbs::ii, beta_nonlocal::jj, create_a3b_hbs::k, basic::options::OptionKeys::corrections::score::p_aa_pp, oop_conformations::phi, beta_nonlocal::pose, pose_from_scratch(), printf(), oop_conformations::psi, basic::options::OptionKeys::remodel::rama, legacy_score_vs_rmsd::scores, test.T120_core::sfxn, and subloop_histogram::size.

Referenced by main().