david_recompute_score_and_rmsd.cc File Reference

#include <iostream>
#include <core/pose/Pose.hh>
#include <core/conformation/Residue.hh>
#include <devel/init.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/option_macros.hh>
#include <basic/Tracer.hh>
#include <core/scoring/Energies.hh>
#include <core/scoring/EnergyGraph.hh>
#include <core/scoring/rms_util.hh>
#include <utility/vector1.hh>
#include <utility/io/ozstream.hh>
#include <string>
#include <basic/options/keys/out.OptionKeys.gen.hh>
#include <core/import_pose/import_pose.hh>
#include <utility/excn/Exceptions.hh>

Functions
void	define_interface (core::pose::Pose &ref_pose)
bool	is_interface_heavyatom (core::pose::Pose const &pose, core::pose::Pose const &, core::Size resno, core::Size atomno)
bool	is_interface_bbatom (core::pose::Pose const &pose, 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.david_recompute_score_and_rmsd.main")
std::set< std::string >	interface
core::Size	lig_res_num

Function Documentation

define_interface()

void define_interface

(

core::pose::Pose &

ref_pose

)

References test.T200_Scoring::emap, utility::options::OptionKeys::options::exit, utility::graph::Edge::get_node(), pyrosetta.distributed.io::get_score_function(), interface, create_a3b_hbs::j, lig_res_num, utility::graph::Node::lower_edge_list_end(), predPRE::resnum, oop_conformations::scorefxn, and TR.

Referenced by main().

is_interface_bbatom()

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

References interface, and beta_nonlocal::pose.

Referenced by main().

is_interface_heavyatom()

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

References interface, and beta_nonlocal::pose.

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(), utility::io::oc::cout, define_interface(), test.T009_Exceptions::e, basic::options::OptionKeys::score::empty, create_a3b_hbs::f, lactamize::filename, assign_charges::ifs, basic::options::OptionKeys::in::in, basic::init(), interface, is_interface_bbatom(), is_interface_heavyatom(), NEW_OPT, utility::io::ozstream::open(), option, erraser_single_res_analysis::out, drrafter_rna::output_tag, pyrosetta.distributed.io::pose_from_file(), basic::options::start_files(), and TR.

Variable Documentation

interface

std::set<std::string> interface

Referenced by define_interface(), is_interface_bbatom(), is_interface_heavyatom(), and main().

lig_res_num

core::Size lig_res_num

Referenced by define_interface().

TR

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

static

Referenced by define_interface(), and main().