cycpep_analysis.cc File Reference

Simple analysis of N-to-C cyclic peptides. More...

#include <core/types.hh>
#include <core/pose/Pose.hh>
#include <core/conformation/Residue.hh>
#include <devel/init.hh>
#include <utility/excn/Exceptions.hh>
#include <basic/Tracer.hh>
#include <protocols/simple_moves/DeclareBond.hh>
#include <core/import_pose/pose_stream/MetaPoseInputStream.hh>
#include <core/import_pose/pose_stream/util.hh>
#include <numeric/angle.functions.hh>

Functions
void	ensure_cyclic (core::pose::PoseOP pose, core::Size const count)
bool	has_cis_bonds (core::pose::PoseCOP pose)
void	count_bins (core::pose::PoseCOP pose, core::Size &Acount, core::Size &Xcount, core::Size &Bcount, core::Size &Ycount, core::Size &Ocount, core::Size &Zcount)
void	do_cycpep_analysis ()
int	main (int argc, char *argv[])

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

Detailed Description

Simple analysis of N-to-C cyclic peptides.

Author

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

Function Documentation

count_bins()

void count_bins	(	core::pose::PoseCOP	pose,
		core::Size &	Acount,
		core::Size &	Xcount,
		core::Size &	Bcount,
		core::Size &	Ycount,
		core::Size &	Ocount,
		core::Size &	Zcount
	)

References create_a3b_hbs::i, beta_nonlocal::pose, and numeric::principal_angle_degrees().

Referenced by do_cycpep_analysis().

do_cycpep_analysis()

void do_cycpep_analysis

(

)

References count_bins(), ensure_cyclic(), has_cis_bonds(), gaussian-sampling::input, beta_nonlocal::pose, and TR.

Referenced by main().

ensure_cyclic()

void ensure_cyclic	(	core::pose::PoseOP	pose,
		core::Size const	count
	)

References count, basic::options::OptionKeys::full_model::cyclize, create_a3b_hbs::nres, beta_nonlocal::pose, and TR.

Referenced by do_cycpep_analysis().

has_cis_bonds()

bool has_cis_bonds

(

core::pose::PoseCOP

pose

)

References create_a3b_hbs::i, beta_nonlocal::pose, and numeric::principal_angle_degrees().

Referenced by do_cycpep_analysis().

main()

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

References argv, utility::excn::Exception::display(), do_cycpep_analysis(), basic::Tracer::flush(), basic::init(), TR, and basic::Tracer::visible().

Variable Documentation

TR

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

static

Referenced by do_cycpep_analysis(), ensure_cyclic(), and main().