protocols::protein_interface_design::filters::HbondsToResidueFilter Class Reference

returns true if the number of hbonding partners to a particular residue exceeds a certain value This filter is useful in conjunction with DesignMinimizeHbonds class More...

#include <HbondsToResidueFilter.hh>

Inheritance diagram for protocols::protein_interface_design::filters::HbondsToResidueFilter:

Collaboration diagram for protocols::protein_interface_design::filters::HbondsToResidueFilter:

Public Types
typedef core::Real	Real
typedef core::Size	Size

Public Member Functions
	HbondsToResidueFilter ()
	HbondsToResidueFilter (Size const resnum, Size const partners, Real const energy_cutoff=-0.5, bool const backbone=false, bool const sidechain=true)
bool	apply (core::pose::Pose const &pose) const
	Returns true if the given pose passes the filter, false otherwise. More...
FilterOP	clone () const
FilterOP	fresh_instance () const
void	report (std::ostream &out, core::pose::Pose const &pose) const
core::Real	report_sm (core::pose::Pose const &pose) const
	used to report filter internals through a score or silent file More...
core::Size	compute (core::pose::Pose const &pose) const
virtual	~HbondsToResidueFilter ()
void	parse_my_tag (utility::tag::TagPtr const tag, protocols::moves::DataMap &, 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	parse_my_tag (utility::tag::TagPtr const, moves::DataMap &, Filters_map const &, moves::Movers_map const &, core::pose::Pose const &)
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 Attributes
Size	resnum_
Size	partners_
Real	energy_cutoff_
bool	backbone_
bool	sidechain_
bool	bb_bb_

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

Detailed Description

returns true if the number of hbonding partners to a particular residue exceeds a certain value This filter is useful in conjunction with DesignMinimizeHbonds class

Definition at line 47 of file HbondsToResidueFilter.hh.

Member Typedef Documentation

typedef core::Real protocols::protein_interface_design::filters::HbondsToResidueFilter::Real

Definition at line 50 of file HbondsToResidueFilter.hh.

typedef core::Size protocols::protein_interface_design::filters::HbondsToResidueFilter::Size

Definition at line 51 of file HbondsToResidueFilter.hh.

Constructor & Destructor Documentation

protocols::protein_interface_design::filters::HbondsToResidueFilter::HbondsToResidueFilter ( )

inline

Definition at line 53 of file HbondsToResidueFilter.hh.

Referenced by clone(), and fresh_instance().

protocols::protein_interface_design::filters::HbondsToResidueFilter::HbondsToResidueFilter ( Size const  resnum, Size const  partners, Real const  energy_cutoff = -0.5, bool const  backbone = false, bool const  sidechain = true  )

inline

Definition at line 54 of file HbondsToResidueFilter.hh.

References backbone_, energy_cutoff_, partners_, resnum_, and sidechain_.

protocols::protein_interface_design::filters::HbondsToResidueFilter::~HbondsToResidueFilter ( )

virtual

Definition at line 162 of file HbondsToResidueFilter.cc.

Member Function Documentation

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

virtual

Returns true if the given pose passes the filter, false otherwise.

Implements protocols::filters::Filter.

Definition at line 97 of file HbondsToResidueFilter.cc.

References core::TR().

FilterOP protocols::protein_interface_design::filters::HbondsToResidueFilter::clone ( ) const

inlinevirtual

Implements protocols::filters::Filter.

Definition at line 63 of file HbondsToResidueFilter.hh.

References HbondsToResidueFilter().

core::Size protocols::protein_interface_design::filters::HbondsToResidueFilter::compute

(

core::pose::Pose const &

pose)

const

Definition at line 137 of file HbondsToResidueFilter.cc.

References core::conformation::Conformation::chain_begin(), core::pose::Pose::conformation(), core::scoring::ScoreFunctionFactory::create_score_function(), hbonded(), core::scoring::SCORE12_PATCH, core::scoring::STANDARD_WTS, and core::pose::Pose::total_residue().

FilterOP protocols::protein_interface_design::filters::HbondsToResidueFilter::fresh_instance ( ) const

inlinevirtual

Implements protocols::filters::Filter.

Definition at line 66 of file HbondsToResidueFilter.hh.

References HbondsToResidueFilter().

void protocols::protein_interface_design::HbondsToResidueFilter::parse_my_tag	(	utility::tag::TagPtr const	tag,
		protocols::moves::DataMap &	,
		filters::Filters_map const &	,
		protocols::moves::Movers_map const &	,
		core::pose::Pose const &	pose
	)

Definition at line 111 of file HbondsToResidueFilter.cc.

References core::pose::get_resnum(), and core::TR().

void protocols::protein_interface_design::filters::HbondsToResidueFilter::report ( std::ostream &  out, core::pose::Pose const &  pose  ) const

virtual

Reimplemented from protocols::filters::Filter.

Definition at line 124 of file HbondsToResidueFilter.cc.

core::Real protocols::protein_interface_design::filters::HbondsToResidueFilter::report_sm ( core::pose::Pose const &  ) const

virtual

used to report filter internals through a score or silent file

Reimplemented from protocols::filters::Filter.

Definition at line 131 of file HbondsToResidueFilter.cc.

Member Data Documentation

bool protocols::protein_interface_design::filters::HbondsToResidueFilter::backbone_

private

Definition at line 78 of file HbondsToResidueFilter.hh.

Referenced by HbondsToResidueFilter().

bool protocols::protein_interface_design::filters::HbondsToResidueFilter::bb_bb_

private

Definition at line 78 of file HbondsToResidueFilter.hh.

Real protocols::protein_interface_design::filters::HbondsToResidueFilter::energy_cutoff_

private

Definition at line 77 of file HbondsToResidueFilter.hh.

Referenced by HbondsToResidueFilter().

Size protocols::protein_interface_design::filters::HbondsToResidueFilter::partners_

private

Definition at line 76 of file HbondsToResidueFilter.hh.

Referenced by HbondsToResidueFilter().

Size protocols::protein_interface_design::filters::HbondsToResidueFilter::resnum_

private

Definition at line 76 of file HbondsToResidueFilter.hh.

Referenced by HbondsToResidueFilter().

bool protocols::protein_interface_design::filters::HbondsToResidueFilter::sidechain_

private

Definition at line 78 of file HbondsToResidueFilter.hh.

Referenced by HbondsToResidueFilter().

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The documentation for this class was generated from the following files:

• src/protocols/protein_interface_design/filters/HbondsToResidueFilter.hh
• src/protocols/protein_interface_design/filters/HbondsToResidueFilter.cc
• src/protocols/protein_interface_design/parse_filters.cc