johnk_interface_geosol_minimization.cc File Reference

#include <devel/init.hh>
#include <core/types.hh>
#include <core/io/pdb/pdb_writer.hh>
#include <core/id/AtomID.hh>
#include <core/id/AtomID_Map.hh>
#include <core/pose/Pose.hh>
#include <core/chemical/ChemicalManager.hh>
#include <core/chemical/ResidueTypeSet.hh>
#include <core/conformation/ResidueFactory.hh>
#include <core/conformation/Atom.hh>
#include <core/scoring/rms_util.tmpl.hh>
#include <core/scoring/rms_util.hh>
#include <core/scoring/etable/Etable.hh>
#include <core/scoring/etable/EtableOptions.hh>
#include <core/scoring/hbonds/hbonds_geom.hh>
#include <core/scoring/hbonds/types.hh>
#include <core/scoring/hbonds/constants.hh>
#include <basic/Tracer.hh>
#include <core/kinematics/MoveMap.hh>
#include <core/optimization/MinimizerOptions.hh>
#include <core/optimization/AtomTreeMinimizer.hh>
#include <core/scoring/ScoreFunction.hh>
#include <core/scoring/ScoreFunctionFactory.hh>
#include <basic/options/util.hh>
#include <basic/options/option.hh>
#include <core/pack/task/TaskFactory.hh>
#include <core/pack/task/PackerTask.hh>
#include <protocols/simple_task_operations/RestrictToInterface.hh>
#include <core/pack/pack_rotamers.hh>
#include <numeric/constants.hh>
#include <basic/options/option_macros.hh>
#include <utility/vector1.hh>
#include <utility/io/ozstream.hh>
#include <utility/excn/Exceptions.hh>
#include <cmath>
#include <iostream>
#include <iomanip>
#include <map>
#include <core/import_pose/import_pose.hh>

Functions
void	define_interface (core::pose::Pose const &pose)
bool	is_interface_sc (core::pose::Pose const &pose1, core::pose::Pose const &, core::Size resno, core::Size atomno)
int	main (int argc, char *argv[])
	General testing code. More...

Variables
static basic::Tracer	TR ("apps.pilot.johnk_test_interface_geosol_minimization.main")
utility::vector1< bool >	interface

Function Documentation

define_interface()

void define_interface

(

core::pose::Pose const &

pose

)

References utility::vectorL< L, T, A >::at(), create_a3b_hbs::i, interface, beta_nonlocal::pose, oop_conformations::scorefxn, vancomycin::task, and test.G200_Module_Region::tf.

Referenced by main().

is_interface_sc()

bool is_interface_sc	(	core::pose::Pose const &	pose1,
		core::pose::Pose const &	,
		core::Size	resno,
		core::Size	atomno
	)

References utility::vectorL< L, T, A >::at(), interface, and test.T008_Serialization::pose1.

Referenced by main().

main()

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

General testing code.

References argv, utility::vectorL< L, T, A >::at(), define_interface(), test.T009_Exceptions::e, create_a3b_hbs::ii, basic::init(), interface, is_interface_sc(), NEW_OPT, basic::options::OptionKeys::score::occ_sol_fitted::occ_sol_fitted, option, demo.D050_Packer_task::packer_task(), beta_nonlocal::pose, pyrosetta.distributed.io::pose_from_file, oop_conformations::scorefxn, basic::options::start_file(), and TR.

Variable Documentation

interface

utility::vector1<bool> interface

Referenced by define_interface(), is_interface_sc(), and main().

TR

basic::Tracer TR("apps.pilot.johnk_test_interface_geosol_minimization.main") ( "apps.pilot.johnk_test_interface_geosol_minimization.main"  )

static

Referenced by main().