GibbsSampling::GibbsSampling |
( |
PProtein * |
p | ) |
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Constructor of GibbsSampling.
- Parameters
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p | The protein chain want to be sampled. |
void GibbsSampling::activateSidechain |
( |
const bool |
enableSidechain | ) |
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Enable/disable side-chain sampling.
- Parameters
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true,: | enable side-chain; false: disable side-chain |
void GibbsSampling::enableLog |
( |
const int |
skipLength | ) |
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Enable logging generated conformations.
- Parameters
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void GibbsSampling::isFreeEnd |
( |
const bool |
freeEnd | ) |
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Enable/disable handling two ends of chain.
- Parameters
-
true,: | enable sampling two ends; false: disable sampling two ends. |
void GibbsSampling::sample |
( |
const double |
time, |
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const int |
s, |
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const int |
e |
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) |
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Sample conformations of sub-loop from residue s to residue e.
- Parameters
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time | time duration for sampling |
s | index of starting residue |
e | index of ending residue |
void GibbsSampling::useBFactor |
( |
const bool |
useBfactor, |
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PProtein * |
p_bfactor = NULL |
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) |
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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: