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GibbsSampling Class Reference

Public Member Functions

 GibbsSampling (PProtein *p)
 Constructor of GibbsSampling. More...
 
virtual ~GibbsSampling ()
 Destructor of GibbsSampling.
 
void sample (const double time, const int s, const int e)
 Sample conformations of sub-loop from residue s to residue e. More...
 
void useBFactor (const bool, PProtein *p_bfactor=NULL)
 Enable/disable using B-factor priors in sampling. More...
 
void activateSidechain (const bool)
 Enable/disable side-chain sampling. More...
 
void isFreeEnd (const bool)
 Enable/disable handling two ends of chain. More...
 
void enableLog (const int skipLength)
 Enable logging generated conformations. More...
 
void disableLog ()
 Disable logging generated conformations.
 

Constructor & Destructor Documentation

GibbsSampling::GibbsSampling ( PProtein *  p)

Constructor of GibbsSampling.

Parameters
pThe protein chain want to be sampled.

Member Function Documentation

void GibbsSampling::activateSidechain ( const bool  enableSidechain)

Enable/disable side-chain sampling.

Parameters
true,:enable side-chain; false: disable side-chain
void GibbsSampling::enableLog ( const int  skipLength)

Enable logging generated conformations.

Parameters
skipLength
void GibbsSampling::isFreeEnd ( const bool  freeEnd)

Enable/disable handling two ends of chain.

Parameters
true,:enable sampling two ends; false: disable sampling two ends.
void GibbsSampling::sample ( const double  time,
const int  s,
const int  e 
)

Sample conformations of sub-loop from residue s to residue e.

Parameters
timetime duration for sampling
sindex of starting residue
eindex of ending residue
void GibbsSampling::useBFactor ( const bool  useBfactor,
PProtein *  p_bfactor = NULL 
)

Enable/disable using B-factor priors in sampling.

Parameters
true,:enable; false: disable
p_bfactor,:if enable B-factor priors, provide a protein conformation with desired atom positions.

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