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Rosetta Protocols
2014.35
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Resample each backbone bond angle from a gaussian distribution. More...
#include <WalkingBondAnglePerturber.hh>
Public Member Functions | |
WalkingBondAnglePerturber (Real magnitude=2.27632) | |
Constructor. A magnitude (in degrees) can be specified. More... | |
std::string | get_name () const |
Return the name of this perturber. More... | |
void | perturb_subset (Pose const &pose, IndexList const &residues, ClosureProblemOP problem) |
Perturb the given residues. More... | |
void | perturb_subset_with_balance (Pose const &pose, IndexList const &residues, ClosureProblemOP problem) |
Perturb the given residues such that detailed balance is obeyed. More... | |
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void | perturb (Pose const &pose, ClosureProblemOP problem) |
Perturb all of the non-pivot residues. More... | |
void | perturb_with_balance (Pose const &pose, ClosureProblemOP problem) |
Perturb all of the non-pivot residues such that detailed balance is obeyed. More... | |
Private Attributes | |
Real | magnitude_ |
Resample each backbone bond angle from a gaussian distribution.
The parameters for the underlying gaussian distribution were taken from a fit of the bond angle distribution observed in the Top8000 database in 2013. Also note that bond angles (3 atoms) are different than torsion angles (4 atoms).
protocols::kinematic_closure::perturbers::WalkingBondAnglePerturber::WalkingBondAnglePerturber | ( | Real | magnitude = 2.27632 | ) |
Constructor. A magnitude (in degrees) can be specified.
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inlinevirtual |
Return the name of this perturber.
Implements protocols::kinematic_closure::perturbers::Perturber.
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virtual |
Perturb the given residues.
Implements protocols::kinematic_closure::perturbers::Perturber.
References angle, numeric::conversions::DEGREES, DEGREES, numeric::random::gaussian(), gaussian(), magnitude_, and residue.
Referenced by perturb_subset_with_balance().
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virtual |
Perturb the given residues such that detailed balance is obeyed.
If not reimplemented, this method will kill rosetta and complain that no balanced implementation of this algorithm exists.
Reimplemented from protocols::kinematic_closure::perturbers::Perturber.
References perturb_subset().
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private |
Referenced by perturb_subset().