report_hbonds.cc File Reference

report all data about hydrogen bonds More...

#include <devel/init.hh>
#include <protocols/jd2/JobDistributor.hh>
#include <protocols/jd2/Job.hh>
#include <protocols/moves/Mover.fwd.hh>
#include <boost/algorithm/string.hpp>
#include <core/chemical/AtomType.hh>
#include <core/chemical/AA.hh>
#include <core/conformation/Residue.hh>
#include <core/io/pdb/pdb_writer.hh>
#include <core/kinematics/MoveMap.fwd.hh>
#include <core/kinematics/MoveMap.hh>
#include <basic/options/keys/in.OptionKeys.gen.hh>
#include <basic/options/keys/out.OptionKeys.gen.hh>
#include <basic/options/option_macros.hh>
#include <basic/options/option.hh>
#include <basic/options/util.hh>
#include <core/pack/rotamer_trials.hh>
#include <core/pack/pack_rotamers.hh>
#include <core/pack/task/PackerTask.hh>
#include <core/pack/task/TaskFactory.hh>
#include <core/pose/Pose.hh>
#include <core/pose/PDBInfo.hh>
#include <core/scoring/sasa.hh>
#include <core/scoring/ScoreFunction.hh>
#include <core/scoring/ScoreFunctionFactory.hh>
#include <core/scoring/hbonds/hbonds.hh>
#include <core/scoring/hbonds/HBondSet.hh>
#include <core/scoring/hbonds/HBondDatabase.hh>
#include <core/scoring/hbonds/hbonds_geom.hh>
#include <core/types.hh>
#include <basic/datacache/CacheableString.hh>
#include <basic/Tracer.hh>
#include <core/scoring/dssp/Dssp.hh>
#include <protocols/moves/Mover.hh>
#include <protocols/minimization_packing/MinMover.hh>
#include <protocols/simple_moves/ShakeStructureMover.hh>
#include <protocols/relax_protocols.hh>
#include <utility/io/izstream.hh>
#include <utility/options/keys/StringOptionKey.hh>
#include <utility/options/keys/BooleanOptionKey.hh>
#include <utility/vector1.hh>
#include <utility/file/FileName.hh>
#include <utility/file/FileName.fwd.hh>
#include <utility/file/file_sys_util.hh>
#include <utility/excn/Exceptions.hh>
#include <iostream>
#include <iomanip>
#include <fstream>
#include <string>
#include <sstream>

Classes
class	HBondReporter

Typedefs
typedef utility::pointer::owning_ptr< HBondReporter >	HBondReporterOP

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

Variables
static basic::Tracer	TR ("apps.pilot.momeara.HBondReporter")

Detailed Description

report all data about hydrogen bonds

Author

Matthew O'Meara

Typedef Documentation

HBondReporterOP

typedef utility::pointer::owning_ptr< HBondReporter > HBondReporterOP

Function Documentation

main()

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

References argv, test.T009_Exceptions::e, basic::init(), NEW_OPT, bin_torsions::output, and basic::options::OptionKeys::abinitio::relax.

Variable Documentation

TR

basic::Tracer TR("apps.pilot.momeara.HBondReporter") ( "apps.pilot.momeara.HBondReporter"  )

static

Referenced by HBondReporter::apply(), HBondReporter::decoyify(), HBondReporter::get_aa_counts(), and HBondReporter::load_job_data().