per_residue_features.cc File Reference

#include <core/chemical/util.hh>
#include <core/chemical/ResidueTypeSet.fwd.hh>
#include <core/types.hh>
#include <core/conformation/Residue.hh>
#include <core/pose/Pose.hh>
#include <core/pose/extra_pose_info_util.hh>
#include <devel/init.hh>
#include <core/import_pose/pose_stream/util.hh>
#include <core/import_pose/pose_stream/MetaPoseInputStream.hh>
#include <protocols/jumping/util.hh>
#include <utility/string_util.hh>
#include <string>
#include <ObjexxFCL/format.hh>
#include <utility/vector1.hh>
#include <basic/options/keys/OptionKeys.hh>
#include <utility/excn/Exceptions.hh>

Functions
char	torsion2big_bin (float const phi, float const psi, float const omega)
utility::vector1< int >	calculate_burial (core::pose::Pose const &mypose, core::Real const dist_cutoff)
utility::vector1< char >	get_ss (core::pose::Pose &pose)
int	main (int argc, char *argv[])

Detailed Description

Author

James Thompson

Function Documentation

calculate_burial()

utility::vector1< int > calculate_burial	(	core::pose::Pose const &	mypose,
		core::Real const	dist_cutoff
	)

References basic::options::OptionKeys::in::file::burial, dist(), dist_cutoff, create_a3b_hbs::i, create_a3b_hbs::j, pna::resi, and basic::options::OptionKeys::cmiles::jumping::resj.

Referenced by main().

get_ss()

utility::vector1< char > get_ss

(

core::pose::Pose &

pose

)

References create_a3b_hbs::ii, beta_nonlocal::pose, and challenge::ss.

Referenced by main().

main()

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

References spectral_cluster_kmeans_adaptive_kernel_density_bb_dependent_rotlib::A, argv, calculate_burial(), basic::options::OptionKeys::chemical::chemical, basic::options::OptionKeys::constraints::constraints, utility::io::oc::cout, test.T009_Exceptions::e, ObjexxFCL::format::F(), utility::file_basename(), utility::file::file_basename(), get_ss(), create_a3b_hbs::i, test.T110_numeric::I, basic::init(), gaussian-sampling::input, max(), basic::options::OptionKeys::AnchoredDesign::filters::omega, bin_torsions::output, oop_conformations::phi, beta_nonlocal::pose, oop_conformations::psi, pna::resi, tag_from_pose(), and torsion2big_bin().

torsion2big_bin()

char torsion2big_bin	(	float const	phi,
		float const	psi,
		float const	omega
	)

References ObjexxFCL::abs(), basic::options::OptionKeys::AnchoredDesign::filters::omega, oop_conformations::phi, and oop_conformations::psi.

Referenced by main().