johnk_interface_recompute_score_and_rmsd.cc File Reference

#include <iostream>
#include <iomanip>
#include <core/pose/Pose.hh>
#include <core/conformation/Residue.hh>
#include <core/chemical/AA.hh>
#include <devel/init.hh>
#include <core/io/pdb/pdb_writer.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 <core/pose/PDBInfo.hh>
#include <core/scoring/rms_util.tmpl.hh>
#include <core/scoring/ScoreFunction.hh>
#include <core/scoring/ScoreFunctionFactory.hh>
#include <basic/options/util.hh>
#include <basic/options/option.hh>
#include <basic/options/after_opts.hh>
#include <basic/options/option_macros.hh>
#include <basic/Tracer.hh>
#include <core/scoring/Energies.hh>
#include <core/scoring/rms_util.hh>
#include <utility/vector1.hh>
#include <utility/io/ozstream.hh>
#include <utility/excn/Exceptions.hh>
#include <core/import_pose/import_pose.hh>

Functions
void	define_interface (core::pose::Pose const &pose)
bool	is_interface_CA (core::pose::Pose const &pose1, core::pose::Pose const &, core::Size resno, core::Size atomno)
bool	is_interface_heavyatom (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_interface_recompute_score_and_rmsd.main")
utility::vector1< bool >	interface

Function Documentation

define_interface()

void define_interface

(

core::pose::Pose const &

pose

)

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

Referenced by main().

is_interface_CA()

bool is_interface_CA	(	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().

is_interface_heavyatom()

bool is_interface_heavyatom	(	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(), utility::io::ozstream::clear(), utility::io::ozstream::close(), define_interface(), test.T009_Exceptions::e, create_a3b_hbs::f, pyrosetta.distributed.io::get_score_function(), create_a3b_hbs::i, basic::init(), is_interface_CA(), is_interface_heavyatom(), NEW_OPT, utility::io::ozstream::open(), option, erraser_single_res_analysis::out, pyrosetta.distributed.io::pose_from_file(), oop_conformations::scorefxn, basic::options::start_files(), and TR.

Variable Documentation

interface

utility::vector1<bool> interface

Referenced by define_interface(), is_interface_CA(), and is_interface_heavyatom().

TR

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

static

Referenced by main().