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Public Member Functions | Static Public Member Functions | Private Member Functions | Private Attributes | List of all members
protocols::ligand_docking::InterfaceBuilder Class Reference

#include <InterfaceBuilder.hh>

Inheritance diagram for protocols::ligand_docking::InterfaceBuilder:
Inheritance graph
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Public Member Functions

 InterfaceBuilder ()
 
 ~InterfaceBuilder () override
 
 InterfaceBuilder (utility::vector1< LigandAreaOP > ligand_areas, core::Size extension_window=0)
 
 InterfaceBuilder (InterfaceBuilder const &that)
 
void parse_my_tag (utility::tag::TagCOP tag, basic::datacache::DataMap &datamap)
 
ligand_options::Interface build (core::pose::Pose const &pose) const
 
LigandAreas get_ligand_areas () const
 

Static Public Member Functions

static std::string element_name ()
 
static void provide_xml_schema (utility::tag::XMLSchemaDefinition &xsd)
 

Private Member Functions

void enforce_minimum_length (ligand_options::Interface &interface, core::pose::Pose const &pose) const
 
void find_interface_residues (ligand_options::Interface &interface, core::pose::Pose const &pose) const
 
void find_protein_residues (ligand_options::Interface &interface, core::Size ligand_residue_id, core::pose::Pose const &pose) const
 First call find_ligand_residues. More...
 
void set_interface_residue (ligand_options::Interface &interface, core::Size const potential_interface_residue_id, core::Size const ligand_interface_residue_id, core::pose::Pose const &pose) const
 
bool is_interface_residue (core::conformation::Residue const &potential_interface_residue, core::conformation::Residue const &ligand_interface_residue, char const chain) const
 

Private Attributes

LigandAreas ligand_areas_
 
core::Size extension_window_
 

Constructor & Destructor Documentation

protocols::ligand_docking::InterfaceBuilder::InterfaceBuilder ( )
protocols::ligand_docking::InterfaceBuilder::~InterfaceBuilder ( )
overridedefault
protocols::ligand_docking::InterfaceBuilder::InterfaceBuilder ( utility::vector1< LigandAreaOP ligand_areas,
core::Size  extension_window = 0 
)

References ligand_areas_.

protocols::ligand_docking::InterfaceBuilder::InterfaceBuilder ( InterfaceBuilder const &  that)

Member Function Documentation

ligand_options::Interface protocols::ligand_docking::InterfaceBuilder::build ( core::pose::Pose const &  pose) const
std::string protocols::ligand_docking::InterfaceBuilder::element_name ( )
static
void protocols::ligand_docking::InterfaceBuilder::enforce_minimum_length ( ligand_options::Interface interface,
core::pose::Pose const &  pose 
) const
private
void protocols::ligand_docking::InterfaceBuilder::find_interface_residues ( ligand_options::Interface interface,
core::pose::Pose const &  pose 
) const
private
void protocols::ligand_docking::InterfaceBuilder::find_protein_residues ( ligand_options::Interface interface,
core::Size  ligand_residue_id,
core::pose::Pose const &  pose 
) const
private
LigandAreas protocols::ligand_docking::InterfaceBuilder::get_ligand_areas ( ) const

References ligand_areas_.

bool protocols::ligand_docking::InterfaceBuilder::is_interface_residue ( core::conformation::Residue const &  potential_interface_residue,
core::conformation::Residue const &  ligand_interface_residue,
char const  chain 
) const
private
void protocols::ligand_docking::InterfaceBuilder::parse_my_tag ( utility::tag::TagCOP  tag,
basic::datacache::DataMap &  datamap 
)

References extension_window_, and ligand_areas_.

void protocols::ligand_docking::InterfaceBuilder::provide_xml_schema ( utility::tag::XMLSchemaDefinition &  xsd)
static
void protocols::ligand_docking::InterfaceBuilder::set_interface_residue ( ligand_options::Interface interface,
core::Size const  potential_interface_residue_id,
core::Size const  ligand_interface_residue_id,
core::pose::Pose const &  pose 
) const
private

Member Data Documentation

core::Size protocols::ligand_docking::InterfaceBuilder::extension_window_
private
LigandAreas protocols::ligand_docking::InterfaceBuilder::ligand_areas_
private

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