BALL::FlexDefinition Class Reference

#include <BALL/DOCKING/COMMON/flexDefinition.h>

Public Types
enum	RotamerLibrary { DUNBRACK = 0, LOVELL }

Public Member Functions
	FlexDefinition ()
virtual	~FlexDefinition ()
void	addFullyFlexibleResidue (Position idx)
vector< Position >	getFullyFlexibleResidues () const
void	addRotamerFlexibleResidue (Position idx)
vector< Position >	getRotamerFlexibleResidues () const

Static Public Member Functions
static FlexDefinition	Rigid ()

Detailed Description

FlexDefinition class. This class is used to store flexibility information about a receptor object.

Definition at line 17 of file flexDefinition.h.

Member Enumeration Documentation

enum BALL::FlexDefinition::RotamerLibrary

Enumerator
DUNBRACK
LOVELL

Definition at line 21 of file flexDefinition.h.

Constructor & Destructor Documentation

BALL::FlexDefinition::FlexDefinition

(

)

Constructor.

virtual BALL::FlexDefinition::~FlexDefinition ( )

virtual

Destructor.

Member Function Documentation

void BALL::FlexDefinition::addFullyFlexibleResidue

(

Position

idx

)

Add a fully (all-atom) flexible residue.

Parameters

residue

index

void BALL::FlexDefinition::addRotamerFlexibleResidue

(

Position

idx

)

Add a rotamer-flexible residue.

Parameters

residue

index

vector<Position> BALL::FlexDefinition::getFullyFlexibleResidues

(

)

const

Get all fully-flexible residues.

Parameters

vector

of residue indices

vector<Position> BALL::FlexDefinition::getRotamerFlexibleResidues

(

)

const

Get all rotamer-flexible residues.

Parameters

vector

of residue indices

static FlexDefinition BALL::FlexDefinition::Rigid ( )

static

Make a rigid FlexDefinition.