mg_lores_pdbstats.cc File Reference

#include <core/types.hh>
#include <core/chemical/AA.hh>
#include <core/chemical/ChemicalManager.hh>
#include <core/conformation/Residue.hh>
#include <core/scoring/rna/RNA_AtomVDW.hh>
#include <core/chemical/rna/util.hh>
#include <core/scoring/hbonds/hbonds_geom.hh>
#include <core/scoring/hbonds/HBondOptions.hh>
#include <core/import_pose/import_pose.hh>
#include <core/kinematics/Stub.hh>
#include <basic/options/option.hh>
#include <core/pose/Pose.hh>
#include <devel/init.hh>
#include <utility/vector1.hh>
#include <utility/io/ozstream.hh>
#include <utility/io/izstream.hh>
#include <numeric/xyzVector.hh>
#include <numeric/xyzMatrix.hh>
#include <numeric/conversions.hh>
#include <ObjexxFCL/format.hh>
#include <iostream>
#include <string>
#include <basic/options/keys/out.OptionKeys.gen.hh>
#include <basic/options/keys/in.OptionKeys.gen.hh>
#include <numeric/xyz.functions.hh>

Typedefs
using	Matrix = numeric::xyzMatrix< Real >

Functions
core::kinematics::Stub	get_phosphate_stub (core::conformation::Residue const &rsd)
void	mg_pdbstats_from_pose (utility::io::ozstream &out, utility::io::ozstream &out2, utility::io::ozstream &out3, utility::io::ozstream &out4, utility::io::ozstream &out5, utility::io::ozstream &out6, pose::Pose &pose, Size const count, Size &total_residues, std::string const pdb_file)
void	mg_pdbstats_test ()
int	main (int argc, char *argv[])

Typedef Documentation

Matrix

using Matrix = numeric::xyzMatrix<Real>

Function Documentation

get_phosphate_stub()

core::kinematics::Stub get_phosphate_stub

(

core::conformation::Residue const &

rsd

)

References a, compute_difference::b, basic::options::OptionKeys::in::file::centroid, cols(), measure_params::cross(), x, predPRE::y, and predPRE::z.

Referenced by mg_pdbstats_from_pose().

main()

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

References argv, test.T009_Exceptions::e, utility::options::OptionKeys::options::exit, basic::init(), and mg_pdbstats_test().

mg_pdbstats_from_pose()

void mg_pdbstats_from_pose	(	utility::io::ozstream &	out,
		utility::io::ozstream &	out2,
		utility::io::ozstream &	out3,
		utility::io::ozstream &	out4,
		utility::io::ozstream &	out5,
		utility::io::ozstream &	out6,
		pose::Pose &	pose,
		Size const	count,
		Size &	total_residues,
		std::string const	pdb_file
	)

References ObjexxFCL::abs(), numeric::angle_of(), basic::options::OptionKeys::in::file::centroid, basic::options::OptionKeys::chemical::chemical, count, utility::io::oc::cout, numeric::conversions::degrees(), DIST_CUTOFF, build_jacobian::distance, ObjexxFCL::format::F(), get_phosphate_stub(), create_a3b_hbs::i, test.T110_numeric::I, create_a3b_hbs::j, beta_nonlocal::jj, oop_conformations::length, numeric::xyzVector< T >::length(), kmeans_adaptive_kernel_density_bb_dependent_rotlib::m, create_a3b_hbs::nres, beta_nonlocal::pose, basic::options::OptionKeys::full_model::rna::rna, x, numeric::xyzVector< T >::x(), predPRE::y, numeric::xyzVector< T >::y(), predPRE::z, and numeric::xyzVector< T >::z().

Referenced by mg_pdbstats_test().

mg_pdbstats_test()

void mg_pdbstats_test

(

)

References utility::io::oc::cerr, basic::options::OptionKeys::chemical::chemical, count, utility::io::oc::cout, utility::exit(), erraser::file_path, getline(), test.T110_numeric::I, in::file::l(), line, mg_pdbstats_from_pose(), out::file::o(), option, erraser_single_res_analysis::out, lactamize::outfile, in::path::pdb(), bur_nodon_tyr::pdb_list, beta_nonlocal::pose, pyrosetta.distributed.io::pose_from_file, and basic::options::OptionKeys::in::file::residue_type_set.

Referenced by main().