score_sidechain_sasa.cc File Reference

#include <devel/init.hh>
#include <core/types.hh>
#include <core/pose/Pose.hh>
#include <core/pose/util.hh>
#include <basic/options/option.hh>
#include <core/chemical/ChemicalManager.hh>
#include <core/conformation/Conformation.fwd.hh>
#include <core/conformation/Residue.hh>
#include <core/conformation/Atom.hh>
#include <core/chemical/AA.hh>
#include <core/scoring/dssp/Dssp.hh>
#include <core/scoring/Energies.hh>
#include <core/scoring/ScoreType.hh>
#include <core/scoring/ScoreFunction.hh>
#include <core/scoring/ScoreFunctionFactory.hh>
#include <core/io/silent/SilentStruct.hh>
#include <core/io/silent/ScoreFileSilentStruct.hh>
#include <core/io/silent/SilentFileData.hh>
#include <core/import_pose/pose_stream/util.hh>
#include <core/import_pose/pose_stream/PoseInputStream.hh>
#include <core/import_pose/pose_stream/MetaPoseInputStream.hh>
#include <utility/vector1.hh>
#include <numeric/random/random.hh>
#include <basic/options/keys/score.OptionKeys.gen.hh>
#include <basic/options/keys/in.OptionKeys.gen.hh>
#include <basic/options/keys/out.OptionKeys.gen.hh>
#include <core/chemical/AtomType.hh>
#include <core/id/AtomID.hh>
#include <core/id/AtomID_Map.hh>
#include <core/scoring/sasa.hh>
#include <string>
#include <iostream>

Functions
core::Real	calculate_backbone_sasa (core::id::AtomID_Map< core::Real > &atom_sasa, core::pose::Pose &current_pose, core::Size &resn)
int	main (int argc, char *argv[])

Detailed Description

Author

James Thompson

Function Documentation

calculate_backbone_sasa()

core::Real calculate_backbone_sasa	(	core::id::AtomID_Map< core::Real > &	atom_sasa,
		core::pose::Pose &	current_pose,
		core::Size &	resn
	)

Referenced by main().

main()

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

References argv, calculate_backbone_sasa(), basic::options::OptionKeys::chemical::chemical, basic::options::OptionKeys::in::file::dssp, test.T009_Exceptions::e, basic::init(), gaussian-sampling::input, option, bur_nodon_tyr::probe_radius, in::file::residue_type_set(), runtime_assert, extract_by_sidechain_sasa_score::sasa_score, out::file::scorefile(), oop_conformations::scorefxn, basic::options::OptionKeys::frags::scoring::scoring, secstruct(), sfd, score::sidechain_buried(), score::sidechain_exposed(), basic::options::OptionKeys::in::file::silent, challenge::ss, tag_from_pose(), ti, tr, basic::options::OptionKeys::inout::dbms::user, and weights().