generate_starting_zinc_sites.cc File Reference

#include <devel/init.hh>
#include <protocols/minimization_packing/MinMover.hh>
#include <protocols/simple_moves/BackboneMover.hh>
#include <protocols/moves/MoverContainer.hh>
#include <protocols/moves/MonteCarlo.hh>
#include <protocols/moves/TrialMover.hh>
#include <protocols/moves/RepeatMover.hh>
#include <core/scoring/ScoreFunction.hh>
#include <core/scoring/ScoreFunctionFactory.hh>
#include <core/scoring/constraints/AtomPairConstraint.hh>
#include <core/scoring/constraints/AngleConstraint.hh>
#include <core/scoring/constraints/DihedralConstraint.hh>
#include <core/scoring/func/HarmonicFunc.hh>
#include <core/scoring/func/CircularHarmonicFunc.hh>
#include <core/scoring/rms_util.hh>
#include <core/import_pose/import_pose.hh>
#include <core/pose/annotated_sequence.hh>
#include <core/pose/Pose.hh>
#include <core/pose/init_id_map.hh>
#include <core/conformation/Residue.hh>
#include <core/conformation/ResidueFactory.hh>
#include <core/conformation/Conformation.hh>
#include <core/conformation/util.hh>
#include <core/chemical/ResidueTypeSet.hh>
#include <core/kinematics/MoveMap.hh>
#include <core/id/AtomID_Map.hh>
#include <core/id/AtomID.hh>
#include <basic/options/option.hh>
#include <basic/options/keys/out.OptionKeys.gen.hh>
#include <basic/Tracer.hh>
#include <utility/excn/Exceptions.hh>
#include <utility/string_util.hh>
#include <numeric/random/random.hh>
#include <numeric/constants.hh>

Namespaces
	local

Functions
void	mutate_residue (core::pose::Pose &pose, core::Size res_position, std::string target_res_name)
int	main (int argc, char *argv[])

Variables
static basic::Tracer	TR ("apps.pilot.guffysl.generate_starting_zinc_sites")
basic::options::IntegerOptionKey const	local::window_width ("window_width")
basic::options::IntegerOptionKey const	local::helix_length ("helix_length")
basic::options::StringOptionKey const	local::reference_zinc_site ("reference_zinc_site")
basic::options::IntegerOptionKey const	local::first_ref_his ("first_ref_his")
basic::options::IntegerOptionKey const	local::ref_zinc ("ref_zinc")
basic::options::RealOptionKey const	local::temperature ("temperature")
basic::options::IntegerOptionKey const	local::n_moves ("n_moves")
basic::options::RealOptionKey const	local::constraint_weight ("constraint_weight")
basic::options::RealOptionKey const	local::max_angle ("max_angle")
basic::options::IntegerOptionKey const	local::small_moves ("small_moves")
basic::options::IntegerOptionKey const	local::shear_moves ("shear_moves")

Function Documentation

main()

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

References utility::options::OptionCollection::add(), argv, local::constraint_weight, utility::options::ScalarOption_T_< K, T >::def(), numeric::constants::r::deg2rad, test.T009_Exceptions::e, local::first_ref_his, local::helix_length, create_a3b_hbs::i, basic::init(), local::max_angle, vancomycin::min_mover, basic::options::OptionKeys::magnesium::monte_carlo, basic::options::OptionKeys::MonteCarlo::MonteCarlo, basic::options::OptionKeys::in::file::movemap, mutate_residue(), local::n_moves, basic::options::OptionKeys::out::nstruct, basic::options::option, beta_nonlocal::pose, pyrosetta.distributed.io::pose_from_file, numeric::random::random_range(), local::ref_zinc, local::reference_zinc_site, test.Workshop5test::repeat_mover, oop_conformations::scorefxn, basic::options::OptionKeys::relax::sequence, test.Workshop5test::shear_mover, local::shear_moves, test.Workshop5test::small_mover, local::small_moves, superimpose_pose(), local::temperature, utility::to_string(), TR, test.Workshop5test::trial_mover, value, and local::window_width.

mutate_residue()

void mutate_residue	(	core::pose::Pose &	pose,
		core::Size	res_position,
		std::string	target_res_name
	)

References beta_nonlocal::pose, and beta_sc_scan::restype_set.

Referenced by main().

Variable Documentation

TR

basic::Tracer TR("apps.pilot.guffysl.generate_starting_zinc_sites") ( "apps.pilot.guffysl.generate_starting_zinc_sites"  )

static

Referenced by main().