Filters for structures which could form a disulfide bond across the docking interface. More...

#include <DisulfideFilter.hh>

Public Member Functions
	DisulfideFilter ()
	default ctor More...

	DisulfideFilter (DisulfideFilter const &df)
	copy ctor More...

	DisulfideFilter (core::Size targetResidue)
	Constructor with a single target residue. More...

	DisulfideFilter (utility::vector1< core::Size > const &targetResidues)
	Constructor with multiple target residues. More...

virtual bool	apply (core::pose::Pose const &pose) const

virtual void	report (std::ostream &out, core::pose::Pose const &pose) const

virtual core::Real	report_sm (core::pose::Pose const &pose) const

virtual protocols::filters::FilterOP	clone () const

virtual protocols::filters::FilterOP	fresh_instance () const

virtual	~DisulfideFilter ()

void	parse_my_tag (utility::tag::TagCOP tag, basic::datacache::DataMap &, protocols::filters::Filters_map const &, protocols::moves::Movers_map const &, core::pose::Pose const &)

Public Member Functions inherited from protocols::filters::Filter
	Filter ()

	Filter (std::string const &)

	Filter (Filter const &)

virtual	~Filter ()

virtual std::string	get_type () const

std::string	get_user_defined_name () const

void	set_user_defined_name (std::string const &name)

virtual void	clear ()
	used to clear internal variables if needed. Using fresh_instance is preferred since it's a pure virtual More...

virtual void	apply (core::io::serialization::PipeMap &pmap)

virtual void	score (core::io::serialization::PipeMap &pmap)

virtual core::Real	score (core::pose::Pose &pose)

virtual void	parse_def (utility::lua::LuaObject const &def, utility::lua::LuaObject const &score_fxns, utility::lua::LuaObject const &tasks)

virtual std::string	name () const

Private Types
typedef protocols::filters::Filter	parent

Private Attributes
utility::vector1< core::Size >	targets_
	a list of residues which may participate in the disulfide. More...

Size	rb_jump_
	Which jump defines the interface where the targets lie? More...

Static Private Attributes
static const core::scoring::disulfides::CentroidDisulfidePotential	potential_
	for calculating centroid disulfide energies More...

Additional Inherited Members
Protected Attributes inherited from protocols::filters::Filter
std::string	scorename_

Detailed Description

Filters for structures which could form a disulfide bond across the docking interface.

Use this filter when you are trying to design one docking member so that it forms a disulfide bond to one or more target residues of the other docking partner. The filter does not consider the indentities of the residues involved, only their Cb position.

This filter only applies to centroid poses. Calling it with a full atom pose will result in everything failing.

Author: Spencer Bliven blive.nosp@m.ns@u.nosp@m..wash.nosp@m.ingt.nosp@m.on.ed.nosp@m.u

Member Typedef Documentation

typedef protocols::filters::Filter protocols::protein_interface_design::filters::DisulfideFilter::parent

private

Constructor & Destructor Documentation

protocols::protein_interface_design::filters::DisulfideFilter::DisulfideFilter ( )

default ctor

Referenced by clone(), and fresh_instance().

protocols::protein_interface_design::filters::DisulfideFilter::DisulfideFilter ( DisulfideFilter const & df )

copy ctor

protocols::protein_interface_design::filters::DisulfideFilter::DisulfideFilter ( core::Size targetResidue )

Constructor with a single target residue.

References targets_.

protocols::protein_interface_design::filters::DisulfideFilter::DisulfideFilter ( utility::vector1< core::Size > const & targetResidues )

Constructor with multiple target residues.

targets may come from either binding partner. If no targets are specified for one target, all residues on the interface will be concidered.

protocols::protein_interface_design::filters::DisulfideFilter::~DisulfideFilter ( )

virtual

Member Function Documentation

bool protocols::protein_interface_design::filters::DisulfideFilter::apply ( core::pose::Pose const & pose ) const

virtual

Returns: Whether a disulfide bond is possible between any of the targets

Implements protocols::filters::Filter.

References protocols::protein_interface_design::movers::DisulfideMover::disulfide_list(), rb_jump_, targets_, and protocols::protein_interface_design::filters::TR.

virtual protocols::filters::FilterOP protocols::protein_interface_design::filters::DisulfideFilter::clone ( ) const

inlinevirtual

Implements protocols::filters::Filter.

References DisulfideFilter().

virtual protocols::filters::FilterOP protocols::protein_interface_design::filters::DisulfideFilter::fresh_instance ( ) const

inlinevirtual

Implements protocols::filters::Filter.

References DisulfideFilter().

void protocols::protein_interface_design::filters::DisulfideFilter::parse_my_tag	(	utility::tag::TagCOP	tag,
		basic::datacache::DataMap &	,
		protocols::filters::Filters_map const &	,
		protocols::moves::Movers_map const &	,
		core::pose::Pose const &	pose
	)