hbonds_test.cc File Reference

this outputs all relavent information about hbonds for one or many pdbs. More...

#include <core/types.hh>
#include <core/pose/Pose.hh>
#include <basic/options/option.hh>
#include <devel/init.hh>
#include <basic/options/keys/in.OptionKeys.gen.hh>
#include <core/scoring/ScoreFunction.hh>
#include <core/scoring/ScoreFunctionFactory.hh>
#include <basic/Tracer.hh>
#include <core/scoring/hbonds/HBEvalTuple.hh>
#include <core/scoring/hbonds/hbonds.hh>
#include <core/scoring/hbonds/HBondSet.hh>
#include <core/scoring/hbonds/hbonds_geom.hh>
#include <core/scoring/hbonds/types.hh>
#include <core/conformation/Residue.hh>
#include <core/chemical/AtomType.hh>
#include <utility/vector1.hh>
#include <utility/file/FileName.hh>
#include <fstream>
#include <string>
#include <core/import_pose/import_pose.hh>
#include <core/scoring/hbonds/HBondDatabase.hh>
#include <core/scoring/hbonds/HBondOptions.hh>

Functions
void	dump_hbonds (std::string pdb_filename)
int	main (int argc, char *argv[])

Detailed Description

this outputs all relavent information about hbonds for one or many pdbs.

Author

Chris Sheldahl

Matthew O'Meara

Function Documentation

dump_hbonds()

void dump_hbonds

(

std::string

pdb_filename

)

References test.T005_Bindings::base, oop_conformations::energy, val2thr::fout, create_a3b_hbs::i, demo.D010_Pose_structure::pdb_filename, beta_nonlocal::pose, pyrosetta.distributed.io::pose_from_file, basic::options::OptionKeys::sc::weight, numeric::xyzVector< T >::x(), numeric::xyzVector< T >::y(), and numeric::xyzVector< T >::z().

Referenced by main().

main()

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

References argv, data, dump_hbonds(), test.T009_Exceptions::e, lactamize::filename, getline(), basic::init(), in::file::l(), line, option, in::file::s(), and utility_exit_with_message.