Rosetta 3.4
Classes | Typedefs | Functions
protocols::toolbox::pose_metric_calculators Namespace Reference

Classes

class  BuriedUnsatisfiedPolarsCalculator
class  CatPiCalculator
class  ChargeCalculator
class  ClashCountCalculator
class  EnergiesData
class  EmptyVertexData
class  DecomposeAndReweightEnergiesCalculator
class  ExplicitWaterUnsatisfiedPolarsCalculator
class  FragQualCalculator
class  HPatchCalculator
class  InterGroupNeighborsCalculator
class  MetricValueGetter
class  NeighborhoodByDistanceCalculator
class  NeighborsByDistanceCalculator
class  NonlocalContactsCalculator
class  NumberHBondsCalculator
class  PackstatCalculator
class  PiPiCalculator
class  ResidueDecompositionByChainCalculator
class  ResidueDecompositionCalculator
class  RotamerBoltzCalculator
class  RotamerRecovery
class  SaltBridgeCalculator
class  SemiExplicitWaterUnsatisfiedPolarsCalculator
class  SequenceComparison
class  SurfaceCalculator

Typedefs

typedef
utility::pointer::owning_ptr
< DecomposeAndReweightEnergiesCalculator
DecomposeAndReweightEnergiesCalculatorOP
typedef
utility::pointer::owning_ptr
< DecomposeAndReweightEnergiesCalculator
const > 
DecomposeAndReweightEnergiesCalculatorCOP
typedef
utility::pointer::owning_ptr
< InterGroupNeighborsCalculator
InterGroupNeighborsCalculatorOP
typedef
utility::pointer::owning_ptr
< InterGroupNeighborsCalculator
const > 
InterGroupNeighborsCalculatorCOP
typedef
utility::pointer::owning_ptr
< NeighborhoodByDistanceCalculator
NeighborhoodByDistanceCalculatorOP
typedef
utility::pointer::owning_ptr
< NeighborhoodByDistanceCalculator
const > 
NeighborhoodByDistanceCalculatorCOP
typedef
utility::pointer::owning_ptr
< NeighborsByDistanceCalculator
NeighborsByDistanceCalculatorOP
typedef
utility::pointer::owning_ptr
< NeighborsByDistanceCalculator
const > 
NeighborsByDistanceCalculatorCOP
typedef
utility::pointer::owning_ptr
< ResidueDecompositionByChainCalculator
ResidueDecompositionByChainCalculatorOP
typedef
utility::pointer::owning_ptr
< ResidueDecompositionByChainCalculator
const > 
ResidueDecompositionByChainCalculatorCOP
typedef
utility::pointer::owning_ptr
< RotamerBoltzCalculator
RotamerBoltzCalculatorOP
typedef
utility::pointer::owning_ptr
< RotamerBoltzCalculator const > 
RotamerBoltzCalculatorCOP

Functions

static basic::Tracer TR ("protocols.toolbox.PoseMetricCalculators.ExplicitWaterUnsatisfiedPolarsCalculator")
static
numeric::random::RandomGenerator 
RG (2718)
void append_rsd_by_jump_near_atom (pose::Pose &pose, Size seqpos, Size atomno, conformation::Residue new_rsd, Size new_atomno, Real dist_min, Real dist_max)
void dock_waters_to_atom (pose::Pose &pose, ScoreFunctionOP scorefxn, Size seqpos, Size atomno, conformation::Residue wat_rsd, Size new_atomno, Real dist_min, Real dist_max)
void find_res_unsat_polars (Pose const pose, Size const seqpos, vector1< bool > &atm_is_unsat)
bool fast_clash_check (Pose const &pose, vector1< id::AtomID > const check_atids, Real const clash_dist_cut)
static basic::Tracer TR ("seqrecovery")

Typedef Documentation


Function Documentation

void protocols::toolbox::pose_metric_calculators::append_rsd_by_jump_near_atom ( pose::Pose pose,
Size  seqpos,
Size  atomno,
conformation::Residue  new_rsd,
Size  new_atomno,
Real  dist_min,
Real  dist_max 
)
void protocols::toolbox::pose_metric_calculators::dock_waters_to_atom ( pose::Pose pose,
ScoreFunctionOP  scorefxn,
Size  seqpos,
Size  atomno,
conformation::Residue  wat_rsd,
Size  new_atomno,
Real  dist_min,
Real  dist_max 
)
bool protocols::toolbox::pose_metric_calculators::fast_clash_check ( Pose const &  pose,
vector1< id::AtomID > const  check_atids,
Real const  clash_dist_cut 
)
void protocols::toolbox::pose_metric_calculators::find_res_unsat_polars ( Pose const  pose,
Size const  seqpos,
vector1< bool > &  atm_is_unsat 
)
static numeric::random::RandomGenerator protocols::toolbox::pose_metric_calculators::RG ( 2718  ) [static]
static basic::Tracer protocols::toolbox::pose_metric_calculators::TR ( "protocols.toolbox.PoseMetricCalculators.ExplicitWaterUnsatisfiedPolarsCalculator"  ) [static]
static basic::Tracer protocols::toolbox::pose_metric_calculators::TR ( "seqrecovery"  ) [static]
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