symmetrize_3d_ramamap.cc File Reference

Takes a Ramachandran-style data file as input, and spits out a symmetric version (symmetrized by copying the negative phi region of Ramachandran space). More...

#include <basic/options/option.hh>
#include <core/types.hh>
#include <core/pose/Pose.hh>
#include <core/conformation/Residue.hh>
#include <devel/init.hh>
#include <utility/exit.hh>
#include <utility/excn/Exceptions.hh>
#include <basic/Tracer.hh>
#include <numeric/angle.functions.hh>
#include <utility/io/izstream.hh>
#include <utility/io/ozstream.hh>
#include <basic/options/option_macros.hh>
#include <basic/options/keys/run.OptionKeys.gen.hh>
#include <utility/vector1.hh>

Functions
void	register_options ()
	Set up the options for this pilot app. More...
void	get_options (std::string &input_filename, std::string &output_filename)
	Read options from the options system, and check that user inputs are reasonable. More...
void	symmetrize_map (std::string &input_filename, std::string &output_filename)
	Symmetrize the map and write output. More...
int	main (int argc, char *argv[])

Variables
static basic::Tracer	TR ("apps.pilot.vmullig.symmetrize_3d_ramamap")

Detailed Description

Takes a Ramachandran-style data file as input, and spits out a symmetric version (symmetrized by copying the negative phi region of Ramachandran space).

Created 17 October 2016.

Author

Vikram K. Mulligan (vmull.nosp@m.ig@u.nosp@m.w.edu)

Function Documentation

get_options()

void get_options	(	std::string &	input_filename,
		std::string &	output_filename
	)

Read options from the options system, and check that user inputs are reasonable.

References basic::options::option, basic::options::OptionKeys::motifs::output_file, output_filename, runtime_assert_string_msg, and basic::options::OptionKeys::inout::dbms::user.

Referenced by main().

main()

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

References argv, utility::io::oc::cerr, get_options(), basic::init(), output_filename, register_options(), utility::excn::Exception::show(), symmetrize_map(), basic::options::TR, and basic::Tracer::visible().

register_options()

void register_options

(

)

Set up the options for this pilot app.

References NEW_OPT, and basic::options::OptionKeys::motifs::output_file.

Referenced by main().

symmetrize_map()

void symmetrize_map	(	std::string &	input_filename,
		std::string &	output_filename
	)

Symmetrize the map and write output.

References utility::io::izstream::close(), utility::io::ozstream::close(), utility::io::izstream::eof(), utility::io::izstream::getline(), utility::io::izstream::good(), line, numeric::nonnegative_principal_angle_degrees(), utility::io::izstream::open(), utility::io::ozstream::open(), output_filename, kmeans_adaptive_kernel_density_bb_dependent_rotlib::phi_bin, kmeans_adaptive_kernel_density_bb_dependent_rotlib::psi_bin, and runtime_assert_string_msg.

Referenced by main().

Variable Documentation

TR

basic::Tracer TR("apps.pilot.vmullig.symmetrize_3d_ramamap") ( "apps.pilot.vmullig.symmetrize_3d_ramamap"  )

static