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Namespaces | Functions
PerturbByBins.cc File Reference

This mover takes a stretch of backbone and perturbs its mainchain torsions based on the probabilities of transitions from one torsion bin to another. More...

#include <protocols/simple_moves/bin_transitions/PerturbByBins.hh>
#include <protocols/simple_moves/bin_transitions/PerturbByBinsCreator.hh>
#include <core/scoring/bin_transitions/BinTransitionCalculator.hh>
#include <core/scoring/bin_transitions/BinTransitionCalculatorManager.hh>
#include <core/types.hh>
#include <core/pose/Pose.hh>
#include <core/conformation/Residue.hh>
#include <core/id/TorsionID.hh>
#include <core/id/types.hh>
#include <utility/tag/Tag.hh>
#include <basic/Tracer.hh>
#include <basic/citation_manager/UnpublishedModuleInfo.hh>
#include <utility/vector1.hh>
#include <numeric/random/random.hh>
#include <utility/tag/XMLSchemaGeneration.hh>
#include <protocols/moves/mover_schemas.hh>

Namespaces

 protocols
 The instance of Loops contained by AbrelaxApplication should be replaced by a LoopsOP.
 
 protocols::simple_moves
 
 protocols::simple_moves::bin_transitions
 

Functions

static basic::Tracer protocols::simple_moves::bin_transitions::TR ("protocols.simple_moves.bin_transitions.PerturbByBins")
 

Detailed Description

This mover takes a stretch of backbone and perturbs its mainchain torsions based on the probabilities of transitions from one torsion bin to another.

Headers for the PerturbByBins mover. This mover takes a stretch of backbone and perturbs its mainchain torsions based on the probabilities of transitions from one torsion bin to another.

Fwd declarations for the PerturbByBins mover. This mover takes a stretch of backbone and perturbs its mainchain torsions based on the probabilities of transitions from one torsion bin to another.

Bin transitions are read from database files. The algorithm is: set the first residue based on the probability of a residue being in a bin. Set subsequent residues based on the probability of a residue being in a bin given that the previous residue is in a particular bin.

Author
Vikram K. Mulligan (vmull.nosp@m.ig@u.nosp@m.w.edu)