detects atomic (<4Ang) contacts between any two atoms of two residues More...

#include <AtomicContactFilter.hh>

Inheritance diagram for protocols::simple_filters::AtomicContactFilter:

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

	AtomicContactFilter (core::Size const res1, core::Size const res2, core::Real const distance=4.0, bool const sidechain=1, bool const backbone=0, bool const protons=0)
	Constructor with a single target residue. More...

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

core::Real	compute (core::pose::Pose const &pose) const

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

core::Real	report_sm (core::pose::Pose const &pose) const override
	used to report filter internals through a score or silent file More...

filters::FilterOP	clone () const override

filters::FilterOP	fresh_instance () const override

	~AtomicContactFilter () override=default

void	parse_my_tag (utility::tag::TagCOP tag, basic::datacache::DataMap &) override
	Called by FilterFactory when constructing new Filter. Takes care of the specific mover's parsing. More...

std::string	name () const override

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

	Filter (std::string const &)

	Filter (Filter const &)

	~Filter () override

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

virtual void	provide_citation_info (basic::citation_manager::CitationCollectionList &) const
	Provide citations to the passed CitationCollectionList Subclasses should add the info for themselves and any other classes they use. More...

Public Member Functions inherited from protocols::moves::ResId
	ResId ()=default

	ResId (core::Size const r)

virtual	~ResId ()=default

virtual void	set_resid (core::Size const r)

virtual void	set_resid (core::pose::ResidueIndexDescriptionCOP r)

virtual core::Size	get_resid (core::pose::Pose const &) const

bool	modifiable () const
	should another method be able to modify resid_. This is used by modify_ResId_based_object as a test More...

void	modifiable (bool const u)

Static Public Member Functions
static std::string	class_name ()

static void	provide_xml_schema (utility::tag::XMLSchemaDefinition &xsd)

Private Types
typedef protocols::filters::Filter	parent

Private Attributes
core::select::residue_selector::ResidueSelectorOP	side1_

core::Real	distance_

bool	sidechain_

bool	backbone_

bool	protons_

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

Detailed Description

detects atomic (<4Ang) contacts between any two atoms of two residues

Member Typedef Documentation

typedef protocols::filters::Filter protocols::simple_filters::AtomicContactFilter::parent

private

Constructor & Destructor Documentation

protocols::simple_filters::AtomicContactFilter::AtomicContactFilter ( )

default ctor

protocols::simple_filters::AtomicContactFilter::AtomicContactFilter	(	core::Size const	res1,
		core::Size const	res2,
		core::Real const	distance = `4.0`,
		bool const	sidechain = `1`,
		bool const	backbone = `0`,
		bool const	protons = `0`
	)