generate_hbond_geometry.cc File Reference

#include <protocols/viewer/viewers.hh>
#include <protocols/moves/Mover.fwd.hh>
#include <devel/init.hh>
#include <protocols/moves/MoverContainer.hh>
#include <protocols/jd2/JobDistributor.hh>
#include <protocols/jd2/util.hh>
#include <protocols/jd2/Job.hh>
#include <protocols/moves/Mover.hh>
#include <protocols/rigid/RigidBodyMover.hh>
#include <core/scoring/ScoreType.hh>
#include <core/scoring/ScoreFunction.hh>
#include <basic/options/option.hh>
#include <basic/options/util.hh>
#include <basic/options/keys/OptionKeys.hh>
#include <basic/options/keys/in.OptionKeys.gen.hh>
#include <basic/options/keys/out.OptionKeys.gen.hh>
#include <basic/options/keys/score.OptionKeys.gen.hh>
#include <basic/options/keys/run.OptionKeys.gen.hh>
#include <basic/options/keys/cluster.OptionKeys.gen.hh>
#include <basic/options/keys/docking.OptionKeys.gen.hh>
#include <basic/options/keys/packing.OptionKeys.gen.hh>
#include <basic/options/keys/constraints.OptionKeys.gen.hh>
#include <basic/options/option_macros.hh>
#include <utility/excn/Exceptions.hh>
#include <utility/io/izstream.hh>
#include <utility/io/ozstream.hh>
#include <fstream>
#include <core/pose/Pose.hh>
#include <core/pose/util.hh>
#include <core/pose/init_id_map.hh>
#include <core/pose/PDBInfo.hh>
#include <core/pose/datacache/CacheableDataType.hh>
#include <core/pose/metrics/CalculatorFactory.hh>
#include <core/io/pdb/pdb_writer.hh>
#include <core/import_pose/import_pose.hh>
#include <core/conformation/Residue.hh>
#include <core/conformation/Conformation.hh>
#include <core/conformation/ResidueFactory.hh>
#include <core/chemical/AtomType.hh>
#include <core/chemical/ResidueTypeSet.hh>
#include <core/chemical/ChemicalManager.hh>
#include <core/scoring/Energies.hh>
#include <core/scoring/EnergyMap.hh>
#include <core/scoring/methods/EnergyMethodOptions.hh>
#include <core/scoring/etable/Etable.hh>
#include <core/scoring/etable/EtableEnergy.hh>
#include <core/scoring/EnergyGraph.hh>
#include <core/scoring/ScoreFunctionFactory.hh>
#include <core/scoring/hbonds/HBEvalTuple.hh>
#include <core/scoring/hbonds/constants.hh>
#include <core/scoring/hbonds/hbonds_geom.hh>
#include <core/scoring/hbonds/HBondDatabase.hh>
#include <core/kinematics/FoldTree.hh>
#include <core/kinematics/Jump.hh>
#include <core/kinematics/MoveMap.hh>
#include <ObjexxFCL/FArray2D.hh>
#include <core/types.hh>
#include <utility/vector1.hh>
#include <numeric/constants.hh>
#include <numeric/conversions.hh>
#include <basic/basic.hh>
#include <basic/Tracer.hh>

Classes
class	generate_hbond_geometry

Functions
bool	fast_clash_check (Pose const &pose, vector1< id::AtomID > const check_atids, Real const clash_dist_cut)
void *	my_main (void *)
int	main (int argc, char *argv[])

Variables
static basic::Tracer	TR ("apps.pilot_apps.shilei.generate_hbond_geometry")

Function Documentation

fast_clash_check()

bool fast_clash_check	(	Pose const &	pose,
		vector1< id::AtomID > const	check_atids,
		Real const	clash_dist_cut
	)

References numeric::xyzVector< T >::distance_squared(), natoms(), beta_nonlocal::pose, and erraser_analysis::res2.

Referenced by generate_hbond_geometry::apply().

main()

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

References argv, utility::excn::Exception::display(), basic::init(), my_main(), NEW_OPT, and viewer_main().

my_main()

void* my_main

(

void *

)

References beta_sc_scan::seq.

Referenced by main().

Variable Documentation

TR

basic::Tracer TR("apps.pilot_apps.shilei.generate_hbond_geometry") ( "apps.pilot_apps.shilei.generate_hbond_geometry"  )

static

Referenced by generate_hbond_geometry::apply().