david_pocket_align_and_save.cc File Reference

#include <iostream>
#include <fstream>
#include <string>
#include <sstream>
#include <devel/init.hh>
#include <core/pose/Pose.hh>
#include <core/pose/init_id_map.hh>
#include <core/pose/PDBInfo.hh>
#include <basic/options/util.hh>
#include <basic/options/option.hh>
#include <basic/options/keys/out.OptionKeys.gen.hh>
#include <basic/options/keys/pocket_grid.OptionKeys.gen.hh>
#include <basic/Tracer.hh>
#include <basic/options/option_macros.hh>
#include <core/conformation/Residue.hh>
#include <protocols/simple_moves/SuperimposeMover.hh>
#include <core/id/AtomID.hh>
#include <core/id/AtomID_Map.hh>
#include <core/scoring/rms_util.hh>
#include <core/import_pose/import_pose.hh>
#include <core/conformation/Residue.fwd.hh>
#include <protocols/pockets/PocketGrid.hh>

Functions
bool	is_interface_heavyatom (core::pose::Pose const &pose, core::pose::Pose const &, core::Size resno, core::Size atomno)
bool	is_interface_heavyatom_pair (core::pose::Pose const &pose, core::pose::Pose const &pose2, core::Size resno, core::Size resno2, core::Size atomno)
Real	iface_pdb_superimpose_pose (pose::Pose &mod_pose, pose::Pose const &ref_pose)
Real	iface_pdb_superimpose_diff_prot (pose::Pose &mod_pose, pose::Pose const &ref_pose)
int	main (int argc, char *argv[])
	General testing code. More...

Variables
static basic::Tracer	TR ("apps.pilot.david_pocket_align_and_save.main")
std::list< std::string >	source_interface
std::list< std::string >	template_interface

Function Documentation

iface_pdb_superimpose_diff_prot()

Real iface_pdb_superimpose_diff_prot	(	pose::Pose &	mod_pose,
		pose::Pose const &	ref_pose
	)

References create_a3b_hbs::ii, is_interface_heavyatom_pair(), beta_nonlocal::jj, and superimpose_pose().

Referenced by main().

iface_pdb_superimpose_pose()

Real iface_pdb_superimpose_pose	(	pose::Pose &	mod_pose,
		pose::Pose const &	ref_pose
	)

References create_a3b_hbs::ii, is_interface_heavyatom(), beta_nonlocal::jj, and superimpose_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 utility::io::oc::cout, beta_nonlocal::pose, and source_interface.

Referenced by iface_pdb_superimpose_pose().

is_interface_heavyatom_pair()

bool is_interface_heavyatom_pair	(	core::pose::Pose const &	pose,
		core::pose::Pose const &	pose2,
		core::Size	resno,
		core::Size	resno2,
		core::Size	atomno
	)

References beta_nonlocal::pose, test.T008_Serialization::pose2, test.T200_Scoring::rsd2, source_interface, and template_interface.

Referenced by iface_pdb_superimpose_diff_prot().

main()

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

General testing code.

References argv, utility::io::oc::cout, test.T009_Exceptions::e, basic::options::OptionKeys::score::empty, iface_pdb_superimpose_diff_prot(), iface_pdb_superimpose_pose(), assign_charges::ifs, basic::options::OptionKeys::in::in, basic::init(), NEW_OPT, option, drrafter_rna::output_tag, basic::options::OptionKeys::pocket_grid::pocket_dump_exemplars, pyrosetta.distributed.io::pose_from_file(), execute::residues, source_interface, basic::options::start_file(), tag, template_interface, and TR.

Variable Documentation

source_interface

std::list<std::string> source_interface

Referenced by is_interface_heavyatom(), is_interface_heavyatom_pair(), and main().

template_interface

std::list<std::string> template_interface

Referenced by is_interface_heavyatom_pair(), and main().

TR

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

static

Referenced by main().