Algorithms for sampling new backbone torsions. More...

Classes
class	BondAnglePerturber
	Resample each backbone bond angle from a gaussian distribution. More...

class	FragmentPerturber
	Pick phi/psi torsions from the given fragment library. More...

class	IdealizeNonPhiPsi
	Set all the non-phi/psi DOFs to ideal values. More...

class	LogFilePerturber
	Read torsion angles, bond angles, and bond lengths from a log file. More...

class	Perturber
	Base class for all of the perturber algorithms. More...

class	PerturberSet
	Maintain a set of perturbers to be executed together. More...

class	RamaPerturber
	Pick phi/psi pairs from the rama distribution. More...

class	UniformPerturber
	Sample backbone torsions from a uniform distribution. More...

class	VicinityPerturber
	Limit sampling to phi/psi pairs within some distance of a target loop. More...

class	WalkingBondAnglePerturber
	Resample each backbone bond angle from a gaussian distribution. More...

class	WalkingPerturber
	Make small perturbations to the previous backbone torsions. More...

Typedefs
typedef owning_ptr < BondAnglePerturber >	BondAnglePerturberOP

typedef owning_ptr < BondAnglePerturber const >	BondAnglePerturberCOP

typedef owning_ptr < FragmentPerturber >	FragmentPerturberOP

typedef owning_ptr < FragmentPerturber const >	FragmentPerturberCOP

typedef owning_ptr < IdealizeNonPhiPsi >	IdealizeNonPhiPsiOP

typedef owning_ptr < IdealizeNonPhiPsi const >	IdealizeNonPhiPsiCOP

typedef owning_ptr < LogFilePerturber >	LogFilePerturberOP

typedef owning_ptr < LogFilePerturber const >	LogFilePerturberCOP

typedef owning_ptr< Perturber >	PerturberOP

typedef owning_ptr< Perturber const >	PerturberCOP

typedef owning_ptr< PerturberSet >	PerturberSetOP

typedef owning_ptr < PerturberSet const >	PerturberSetCOP

typedef owning_ptr< RamaPerturber >	RamaPerturberOP

typedef owning_ptr < RamaPerturber const >	RamaPerturberCOP

typedef owning_ptr < UniformPerturber >	UniformPerturberOP

typedef owning_ptr < UniformPerturber const >	UniformPerturberCOP

typedef owning_ptr < VicinityPerturber >	VicinityPerturberOP

typedef owning_ptr < VicinityPerturber const >	VicinityPerturberCOP

typedef owning_ptr < WalkingBondAnglePerturber >	WalkingBondAnglePerturberOP

typedef owning_ptr < WalkingBondAnglePerturber const >	WalkingBondAnglePerturberCOP

typedef owning_ptr < WalkingPerturber >	WalkingPerturberOP

typedef owning_ptr < WalkingPerturber const >	WalkingPerturberCOP

Detailed Description

Algorithms for sampling new backbone torsions.

The kinematic closure algorithm allows the non-pivot torsions to be set without any restrictions. The six pivot torsions are then used to ensure the backbone remains closed. There is a great deal of flexibility in how the non-pivot torsions are chosen. This namespace provides a number of different algorithms to sample these torsions. These algorithms can be mixed in matched in any way you'd like using samplers::KicMover.