protocols::stepwise::modeler::polar_hydrogens Namespace Reference

Classes
class	PolarHydrogenPacker

Typedefs
typedef utility::pointer::shared_ptr< PolarHydrogenPacker >	PolarHydrogenPackerOP
typedef utility::pointer::shared_ptr< PolarHydrogenPacker const >	PolarHydrogenPackerCOP

Functions
Size	check_if_proton_chi_atom (pose::Pose const &pose, core::Size const rsd, core::Size const atomno)
Size	check_if_proton_chi_atom (chemical::ResidueType const &rsd_type, core::Size const atomno)
void	pack_polar_hydrogens (pose::Pose &pose, bool allow_virtual_o2prime_hydrogens)

Typedef Documentation

PolarHydrogenPackerCOP

typedef utility::pointer::shared_ptr< PolarHydrogenPacker const > protocols::stepwise::modeler::polar_hydrogens::PolarHydrogenPackerCOP

PolarHydrogenPackerOP

typedef utility::pointer::shared_ptr< PolarHydrogenPacker > protocols::stepwise::modeler::polar_hydrogens::PolarHydrogenPackerOP

Function Documentation

check_if_proton_chi_atom() [1/2]

core::Size protocols::stepwise::modeler::polar_hydrogens::check_if_proton_chi_atom	(	chemical::ResidueType const &	rsd_type,
		core::Size const	atomno
	)

References core::chemical::ResidueType::chi_atoms(), core::chemical::ResidueType::n_proton_chi(), and core::chemical::ResidueType::proton_chi_2_chi().

Referenced by check_if_proton_chi_atom().

check_if_proton_chi_atom() [2/2]

core::Size protocols::stepwise::modeler::polar_hydrogens::check_if_proton_chi_atom	(	pose::Pose const &	pose,
		core::Size const	rsd,
		core::Size const	atomno
	)

References check_if_proton_chi_atom(), and core::pose::Pose::residue_type().

Referenced by protocols::stepwise::modeler::polar_hydrogens::PolarHydrogenPacker::get_ideal_hxyz_positions().

pack_polar_hydrogens()

void protocols::stepwise::modeler::polar_hydrogens::pack_polar_hydrogens	(	pose::Pose &	pose,
		bool	allow_virtual_o2prime_hydrogens
	)

References protocols::stepwise::modeler::polar_hydrogens::PolarHydrogenPacker::apply(), and protocols::stepwise::modeler::polar_hydrogens::PolarHydrogenPacker::set_allow_virtual_o2prime_hydrogens().

Referenced by protocols::stepwise::modeler::StepWiseMinimizer::do_minimize().