david_rotation_experiment.cc File Reference

#include <iostream>
#include <core/conformation/Residue.hh>
#include <devel/init.hh>
#include <core/pose/Pose.hh>
#include <core/scoring/ScoreFunction.hh>
#include <core/scoring/ScoreFunctionFactory.hh>
#include <core/pose/PDBInfo.hh>
#include <basic/options/util.hh>
#include <core/id/AtomID_Map.hh>
#include <protocols/pockets/PocketGrid.hh>
#include <core/scoring/Energies.hh>
#include <basic/options/keys/out.OptionKeys.gen.hh>
#include <basic/options/keys/pocket_grid.OptionKeys.gen.hh>
#include <basic/options/option_macros.hh>
#include <numeric/xyz.functions.hh>
#include <numeric/xyzMatrix.hh>
#include <core/id/AtomID.hh>
#include <core/scoring/rms_util.hh>
#include <protocols/simple_moves/SuperimposeMover.hh>
#include <core/pose/init_id_map.hh>
#include <core/import_pose/import_pose.hh>
#include <utility/excn/Exceptions.hh>
#include <numeric/random/random.fwd.hh>
#include <fstream>

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

Variables
std::set< std::string >	interface

Function Documentation

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 interface, and beta_nonlocal::pose.

Referenced by iface_pdb_superimpose_pose().

main()

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

General testing code.

References oop_conformations::angles, argv, basic::options::OptionKeys::pocket_grid::central_relax_pdb_num, utility::io::oc::cout, test.T009_Exceptions::e, utility::options::OptionKeys::options::exit, fprintf(), create_a3b_hbs::i, iface_pdb_superimpose_pose(), assign_charges::ifs, basic::options::OptionKeys::in::in, basic::init(), enumerate_junctions::int, interface, NEW_OPT, option, drrafter_rna::output_tag, pyrosetta.distributed.io::pose_from_file, execute::residues, oop_conformations::scorefxn, basic::options::start_file(), tag, numeric::random::uniform(), kmeans_adaptive_kernel_density_bb_dependent_rotlib::v, x, numeric::x_rotation_matrix_degrees(), predPRE::y, numeric::y_rotation_matrix_degrees(), predPRE::z, and numeric::z_rotation_matrix_degrees().

Variable Documentation

interface

std::set<std::string> interface

Referenced by is_interface_heavyatom(), and main().