Inheritance diagram for BALL::Receptor:

Public Member Functions
	Receptor ()

	Receptor (Protein *p)

virtual	~Receptor ()

FlexDefinition	getFlexDefinition (Position i)

void	setFlexDefinition (Position i, FlexDefinition &fd)

vector< FlexDefinition >	getFlexDefinitions ()

void	addFlexConformation (Conformation *conf, FlexDefinition &fd)

void	addConformation (Conformation *conf)

Public Member Functions inherited from BALL::FlexibleMolecule
	FlexibleMolecule (Molecule *mol)

	FlexibleMolecule (const FlexibleMolecule &flexmol)

virtual	~FlexibleMolecule ()

void	clearConformations ()

Size	getNumberOfConformations ()

const vector< Conformation * > &	getConformations () const

String	getConformationId (Position i)

Conformation *	getConformation (Position i)

Molecule *	getConformer (Position i)

Molecule *	getConformerById (String id)

Conformation *	getConformationById (String id)

bool	hasConformation (String id)

Molecule *	getParent ()

String	getId () const

void	setId (String id)

void	removeMoleculeOwnership ()

Protected Attributes
vector< FlexDefinition >	flexinfo_

Protected Attributes inherited from BALL::FlexibleMolecule
String	id

Molecule *	molecule

vector< Conformation * >	conformations

HashMap< String, Conformation * >	conf_ids_

bool	molecule_ownership_

Additional Inherited Members
Static Public Member Functions inherited from BALL::FlexibleMolecule
static void	generateTopologyHash (const AtomContainer *mol, String &hash, bool ignore_hydrogen=false)

Protected Member Functions inherited from BALL::FlexibleMolecule
bool	checkCompatibility (Conformation *conf)

Detailed Description

Receptor class. This class represents protein receptors.

Definition at line 22 of file receptor.h.

Constructor & Destructor Documentation

BALL::Receptor::Receptor ( )

BALL::Receptor::Receptor ( Protein * p )

virtual BALL::Receptor::~Receptor ( )

virtual

void BALL::Receptor::addConformation ( Conformation * conf )

virtual

Add a conformation

Parameters

conformation pointer

void BALL::Receptor::addFlexConformation	(	Conformation *	conf,
		FlexDefinition &	fd
	)

Add a conformation with flexible side chains

Parameters

conformation	pointer
FlexDefinition

FlexDefinition BALL::Receptor::getFlexDefinition ( Position i )

vector<FlexDefinition> BALL::Receptor::getFlexDefinitions ( )

void BALL::Receptor::setFlexDefinition	(	Position	i,
		FlexDefinition &	fd
	)

vector<FlexDefinition> BALL::Receptor::flexinfo_

protected

Definition at line 44 of file receptor.h.