protocols::pack_interface::ProteinProteinInterfaceUpweighter Class Reference

Class to alter a packer task to speficially upweight the protein-protein interaction energies. More...

#include <ProteinProteinInterfaceUpweighterTaskOperation.hh>

Inheritance diagram for protocols::pack_interface::ProteinProteinInterfaceUpweighter:

Public Types
typedef core::pack::task::operation::TaskOperationOP	TaskOperationOP
typedef core::pose::Pose	Pose
typedef core::pack::task::PackerTask	PackerTask
Public Types inherited from core::pack::task::operation::TaskOperation
typedef utility::tag::TagCOP	TagCOP
typedef basic::datacache::DataMap	DataMap
typedef pose::Pose	Pose

Public Member Functions
	ProteinProteinInterfaceUpweighter ()
	ProteinProteinInterfaceUpweighter (core::Real weight_in)
	ProteinProteinInterfaceUpweighter (core::Real weight_in, std::string const &skip_loop_in_chain)
	~ProteinProteinInterfaceUpweighter () override
TaskOperationOP	clone () const override
	Create another task operation of the type matching the most-derived version of the class. More...
void	apply (Pose const &pose, PackerTask &task) const override
	Change a packer task in some way. The input pose is the one to which the input task will be later applied. More...
void	parse_tag (TagCOP, DataMap &) override
	Used to parse an xml-like tag to load parameters and properties. More...
core::Real	get_weight () const
void	set_weight (core::Real const weight_in)
	set the weight of the interaction across the interface More...
void	set_skip_loop_chains (std::string const &chains)
Public Member Functions inherited from core::pack::task::operation::TaskOperation
	~TaskOperation () override
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...

Static Public Member Functions
static void	provide_xml_schema (utility::tag::XMLSchemaDefinition &xsd)
static std::string	keyname ()

Private Attributes
core::Real	ppi_packer_weight_
	Reweight protein-protein interaction by a factor of ppi_packer_weight_. More...
std::string	chains_to_ignore_loops_

Detailed Description

Class to alter a packer task to speficially upweight the protein-protein interaction energies.

Member Typedef Documentation

typedef core::pack::task::PackerTask protocols::pack_interface::ProteinProteinInterfaceUpweighter::PackerTask

typedef core::pose::Pose protocols::pack_interface::ProteinProteinInterfaceUpweighter::Pose

typedef core::pack::task::operation::TaskOperationOP protocols::pack_interface::ProteinProteinInterfaceUpweighter::TaskOperationOP

Constructor & Destructor Documentation

protocols::pack_interface::ProteinProteinInterfaceUpweighter::ProteinProteinInterfaceUpweighter

(

)

protocols::pack_interface::ProteinProteinInterfaceUpweighter::ProteinProteinInterfaceUpweighter

(

core::Real

weight_in

)

protocols::pack_interface::ProteinProteinInterfaceUpweighter::ProteinProteinInterfaceUpweighter	(	core::Real	weight_in,
		std::string const &	skip_loop_in_chain
	)

protocols::pack_interface::ProteinProteinInterfaceUpweighter::~ProteinProteinInterfaceUpweighter ( )

overridedefault

Member Function Documentation

void protocols::pack_interface::ProteinProteinInterfaceUpweighter::apply ( Pose const &  pose, PackerTask &  task  ) const

overridevirtual

Change a packer task in some way. The input pose is the one to which the input task will be later applied.

Implements core::pack::task::operation::TaskOperation.

References chains_to_ignore_loops_, protocols::simple_filters::dssp(), core::scoring::dssp::Dssp::get_dssp_secstruct(), ppi_packer_weight_, and core::pack::task::PackerTask::set_IGEdgeReweights().

core::pack::task::operation::TaskOperationOP protocols::pack_interface::ProteinProteinInterfaceUpweighter::clone ( ) const

overridevirtual

Create another task operation of the type matching the most-derived version of the class.

Implements core::pack::task::operation::TaskOperation.

core::Real protocols::pack_interface::ProteinProteinInterfaceUpweighter::get_weight ( ) const

inline

References ppi_packer_weight_.

static std::string protocols::pack_interface::ProteinProteinInterfaceUpweighter::keyname ( )

inlinestatic

Referenced by protocols::pack_interface::ProteinProteinInterfaceUpweighterTaskOperationCreator::keyname(), and provide_xml_schema().

void protocols::pack_interface::ProteinProteinInterfaceUpweighter::parse_tag ( TagCOP  tag, DataMap &    )

overridevirtual

Used to parse an xml-like tag to load parameters and properties.

Reimplemented from core::pack::task::operation::TaskOperation.

References chains_to_ignore_loops_, and ppi_packer_weight_.

void protocols::pack_interface::ProteinProteinInterfaceUpweighter::provide_xml_schema ( utility::tag::XMLSchemaDefinition &  xsd )

static

References keyname(), and core::pack::task::operation::task_op_schema_w_attributes().

Referenced by protocols::pack_interface::ProteinProteinInterfaceUpweighterTaskOperationCreator::provide_xml_schema().

void protocols::pack_interface::ProteinProteinInterfaceUpweighter::set_skip_loop_chains ( std::string const &  chains )

inline

References chains_to_ignore_loops_.

void protocols::pack_interface::ProteinProteinInterfaceUpweighter::set_weight ( core::Real const  weight_in )

inline

set the weight of the interaction across the interface

References ppi_packer_weight_.

Member Data Documentation

std::string protocols::pack_interface::ProteinProteinInterfaceUpweighter::chains_to_ignore_loops_

private

Referenced by apply(), parse_tag(), and set_skip_loop_chains().

core::Real protocols::pack_interface::ProteinProteinInterfaceUpweighter::ppi_packer_weight_

private

Reweight protein-protein interaction by a factor of ppi_packer_weight_.

Referenced by apply(), get_weight(), parse_tag(), and set_weight().

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

• src/protocols/pack_interface/ProteinProteinInterfaceUpweighterTaskOperation.hh
• src/protocols/pack_interface/ProteinProteinInterfaceUpweighterTaskOperation.cc