SidechainRotater Class Reference

The class SidechainRotater is used to rotate side-chain conformations for a given chain and evaluate a given chain according to its side-chain structure. More...

#include <SideChainRotater.h>

Public Member Functions
	SidechainRotater (PProtein *chain)
	Constructor. More...
virtual	~SidechainRotater ()
	Destructor.
void	rotateSidechain (PChain *chain, const vector< DihedralAngle > &aBackbone)
	Sample and rotate side-chains. More...
double	evalSidechain (PChain *chain)
	Evaluate the chain according to side-chain conformations. More...

Static Public Member Functions
static void	getSidechainAngles (PProtein *chain, vector< vector< double > > &angles)
	Get all side-chain angles for a given chain. More...

Private Attributes
Rotamer *	rotamer

Detailed Description

The class SidechainRotater is used to rotate side-chain conformations for a given chain and evaluate a given chain according to its side-chain structure.

Constructor & Destructor Documentation

SidechainRotater::SidechainRotater

(

PProtein *

chain

)

Constructor.

Parameters

chain

the chain to be sampled, used for initialization of side-chain database.

Member Function Documentation

double SidechainRotater::evalSidechain

(

PChain *

chain

)

Evaluate the chain according to side-chain conformations.

Parameters

chain

the chain to be evaluated

Returns

probability in logarithm

void SidechainRotater::getSidechainAngles ( PProtein *  chain, vector< vector< double > > &  angles  )

static

Get all side-chain angles for a given chain.

Parameters

chain	the given chain
angles	stores the side-chain angles

void SidechainRotater::rotateSidechain	(	PChain *	chain,
		const vector< DihedralAngle > &	aBackbone
	)

Sample and rotate side-chains.

Parameters

chain	the chain to be sampled.
aBackbone	backbone dihedral angles of the chain.

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

• SideChainRotater.h
• SideChainRotater.cc