Package rosetta :: Package protocols :: Package pockets :: Module _protocols_pockets_
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Module _protocols_pockets_

Classes [hide private]
  CCluster
@ Cluster of exemplar points
  CClusterAP
  CClusterCAP
  CClusterSet
@ Set of clusters of exemplar points
  CClusterSetAP
  CClusterSetCAP
  ComparisonGrid
@
  ComparisonGridAP
  ComparisonGridCAP
  DarcParticleSwarmMinimizer
protocols/pockets/DarcParticleSwarmMinimizer.hh:32
  DarcParticleSwarmMinimizerAP
  DarcParticleSwarmMinimizerCAP
  EggshellGrid
@
  EggshellGridAP
  EggshellGridCAP
  ElectrostaticpotentialGrid
protocols/pockets/PocketGrid.hh:390
  ElectrostaticpotentialGridAP
  ElectrostaticpotentialGridCAP
  FingerprintBase
protocols/pockets/Fingerprint.hh:62
  FingerprintBaseAP
  FingerprintBaseCAP
  FingerprintMultifunc
Atom tree multifunction class
  FingerprintMultifuncAP
  FingerprintMultifuncCAP
  GenPharmacophore
protocols/pockets/GenPharmacophore.hh:93
  GenPharmacophoreAP
  GenPharmacophoreCAP
  NonPlaidFingerprint
protocols/pockets/Fingerprint.hh:108
  NonPlaidFingerprintAP
  NonPlaidFingerprintCAP
  PCluster
@ Cluster of Pocket points
  PClusterAP
  PClusterCAP
  PClusterSet
@ Set of cluster of pocket points
  PClusterSetAP
  PClusterSetCAP
  PlaidFingerprint
protocols/pockets/Fingerprint.hh:258
  PlaidFingerprintAP
  PlaidFingerprintCAP
  PocketConstraint
This constraint favors creating a pocket suitable for a small-molecule
  PocketConstraintAP
  PocketConstraintCAP
  PocketConstraintCreator
Mover creator for the PocketConstraint constraint
  PocketConstraintCreatorAP
  PocketConstraintCreatorCAP
  PocketExemplarMultifunc
Pocket multifunction class, does objective function of optimization
  PocketExemplarMultifuncAP
  PocketExemplarMultifuncCAP
  PocketGrid
@
  PocketGridAP
  PocketGridCAP
  SingletonBase_T_core_chemical_ChemicalManager_T
SingletonBase is meant to serve as a base class for singleton classes in Rosetta handling the initialization of the singleton in a thread-safe way.
  SingletonBase_T_core_chemical_ChemicalManager_TAP
  SingletonBase_T_core_chemical_ChemicalManager_TCAP
  SmallMol
protocols/pockets/GenPharmacophore.hh:34
  SmallMolAP
  SmallMolCAP
  TargetPocketGrid
@
  TargetPocketGridAP
  TargetPocketGridCAP
  UnionEdge
protocols/pockets/GenPharmacophore.hh:78
  UnionEdgeAP
  UnionEdgeCAP
  __CPP_DarcParticleSwarmMinimizer__
  __CPP_FingerprintMultifunc__
  __CPP_PocketConstraintCreator__
  __CPP_PocketConstraint__
  __CPP_PocketExemplarMultifunc__
  ray_distance_derivs
protocols/pockets/Fingerprint.hh:60
  ray_distance_derivsAP
  ray_distance_derivsCAP
  spherical_coor_triplet
protocols/pockets/Fingerprint.hh:43
  spherical_coor_tripletAP
  spherical_coor_tripletCAP
  triplet_and_originnum
protocols/pockets/Fingerprint.hh:51
  triplet_and_originnumAP
  triplet_and_originnumCAP
Functions [hide private]
 
Find_Closest_Intersect_SQ(...)
Find_Closest_Intersect_SQ( (float)phiAngle, (float)psiAngle, (float)atomX, (float)atomY, (float)atomZ, (float)atom_radius) -> float : protocols/pockets/Fingerprint.hh:368
 
convert_cartesian_to_grid(...)
convert_cartesian_to_grid( (xyzVector_Real)cart_coord, (xyzVector_Real)mid, (xyzVector_Real)dim, (float)spacing, (xyzVector_Real)grid_coord) -> None : protocols/pockets/Fingerprint.hh:347
 
convert_cartesian_to_spherical_coor_triplet(...)
convert_cartesian_to_spherical_coor_triplet( (xyzVector_Real)coord, (spherical_coor_triplet)triplet) -> None : protocols/pockets/Fingerprint.hh:330
 
convert_grid_to_cartesian(...)
convert_grid_to_cartesian( (xyzVector_Real)grid_coord, (xyzVector_Real)mid, (xyzVector_Real)dim, (float)spacing, (xyzVector_Real)cart_coord) -> None : protocols/pockets/Fingerprint.hh:353
 
convert_spherical_coor_triplet_to_cartesian(...)
convert_spherical_coor_triplet_to_cartesian( (spherical_coor_triplet)triplet, (xyzVector_Real)coord) -> None : protocols/pockets/Fingerprint.hh:337
 
dD_dv1(...)
dD_dv1( (float), (float), (float), (float), (float), (float), (float), (float), (float), (float)) -> float : protocols/pockets/Fingerprint.hh:360
 
dD_dv2(...)
dD_dv2( (float), (float), (float), (float), (float), (float), (float), (float), (float), (float)) -> float : protocols/pockets/Fingerprint.hh:361
 
dD_dv3(...)
dD_dv3( (float), (float), (float), (float), (float), (float), (float), (float), (float), (float)) -> float : protocols/pockets/Fingerprint.hh:362
 
dD_dv4(...)
dD_dv4( (float), (float), (float), (float), (float), (float), (float), (float), (float), (float), (float), (float), (float), (float), (float), (float), (float), (float), (float)) -> float : protocols/pockets/Fingerprint.hh:363
 
dD_dv5(...)
dD_dv5( (float), (float), (float), (float), (float), (float), (float), (float), (float), (float), (float), (float), (float), (float), (float), (float), (float), (float), (float)) -> float : protocols/pockets/Fingerprint.hh:364
 
dD_dv6(...)
dD_dv6( (float), (float), (float), (float), (float), (float), (float), (float), (float), (float), (float), (float), (float), (float), (float), (float), (float), (float), (float)) -> float : protocols/pockets/Fingerprint.hh:365
Variables [hide private]
  __package__ = None
Function Details [hide private]

Find_Closest_Intersect_SQ(...)

 

Find_Closest_Intersect_SQ( (float)phiAngle, (float)psiAngle, (float)atomX, (float)atomY, (float)atomZ, (float)atom_radius) -> float :
    protocols/pockets/Fingerprint.hh:368

    C++ signature :
        double Find_Closest_Intersect_SQ(double,double,double,double,double,double)

convert_cartesian_to_grid(...)

 

convert_cartesian_to_grid( (xyzVector_Real)cart_coord, (xyzVector_Real)mid, (xyzVector_Real)dim, (float)spacing, (xyzVector_Real)grid_coord) -> None :
    protocols/pockets/Fingerprint.hh:347

    C++ signature :
        void convert_cartesian_to_grid(numeric::xyzVector<double>,numeric::xyzVector<double>,numeric::xyzVector<double>,double,numeric::xyzVector<double> {lvalue})

convert_cartesian_to_grid( (xyzVector_Real)cart_coord, (xyzVector_Real)mid, (xyzVector_Size)dim, (float)spacing, (xyzVector_Real)grid_coord) -> None :
    protocols/pockets/PocketGrid.hh:459

    C++ signature :
        void convert_cartesian_to_grid(numeric::xyzVector<double>,numeric::xyzVector<double>,numeric::xyzVector<unsigned long>,double,numeric::xyzVector<double> {lvalue})

convert_cartesian_to_spherical_coor_triplet(...)

 

convert_cartesian_to_spherical_coor_triplet( (xyzVector_Real)coord, (spherical_coor_triplet)triplet) -> None :
    protocols/pockets/Fingerprint.hh:330

    C++ signature :
        void convert_cartesian_to_spherical_coor_triplet(numeric::xyzVector<double>,protocols::pockets::spherical_coor_triplet {lvalue})

convert_grid_to_cartesian(...)

 

convert_grid_to_cartesian( (xyzVector_Real)grid_coord, (xyzVector_Real)mid, (xyzVector_Real)dim, (float)spacing, (xyzVector_Real)cart_coord) -> None :
    protocols/pockets/Fingerprint.hh:353

    C++ signature :
        void convert_grid_to_cartesian(numeric::xyzVector<double>,numeric::xyzVector<double>,numeric::xyzVector<double>,double,numeric::xyzVector<double> {lvalue})

convert_grid_to_cartesian( (xyzVector_Real)grid_coord, (xyzVector_Real)mid, (xyzVector_Size)dim, (float)spacing, (xyzVector_Real)cart_coord) -> None :
    protocols/pockets/PocketGrid.hh:465

    C++ signature :
        void convert_grid_to_cartesian(numeric::xyzVector<double> {lvalue},numeric::xyzVector<double>,numeric::xyzVector<unsigned long>,double,numeric::xyzVector<double> {lvalue})

convert_spherical_coor_triplet_to_cartesian(...)

 

convert_spherical_coor_triplet_to_cartesian( (spherical_coor_triplet)triplet, (xyzVector_Real)coord) -> None :
    protocols/pockets/Fingerprint.hh:337

    C++ signature :
        void convert_spherical_coor_triplet_to_cartesian(protocols::pockets::spherical_coor_triplet,numeric::xyzVector<double> {lvalue})

dD_dv1(...)

 

dD_dv1( (float), (float), (float), (float), (float), (float), (float), (float), (float), (float)) -> float :
    protocols/pockets/Fingerprint.hh:360

    C++ signature :
        double dD_dv1(double,double,double,double,double,double,double,double,double,double)

dD_dv2(...)

 

dD_dv2( (float), (float), (float), (float), (float), (float), (float), (float), (float), (float)) -> float :
    protocols/pockets/Fingerprint.hh:361

    C++ signature :
        double dD_dv2(double,double,double,double,double,double,double,double,double,double)

dD_dv3(...)

 

dD_dv3( (float), (float), (float), (float), (float), (float), (float), (float), (float), (float)) -> float :
    protocols/pockets/Fingerprint.hh:362

    C++ signature :
        double dD_dv3(double,double,double,double,double,double,double,double,double,double)

dD_dv4(...)

 

dD_dv4( (float), (float), (float), (float), (float), (float), (float), (float), (float), (float), (float), (float), (float), (float), (float), (float), (float), (float), (float)) -> float :
    protocols/pockets/Fingerprint.hh:363

    C++ signature :
        double dD_dv4(double,double,double,double,double,double,double,double,double,double,double,double,double,double,double,double,double,double,double)

dD_dv5(...)

 

dD_dv5( (float), (float), (float), (float), (float), (float), (float), (float), (float), (float), (float), (float), (float), (float), (float), (float), (float), (float), (float)) -> float :
    protocols/pockets/Fingerprint.hh:364

    C++ signature :
        double dD_dv5(double,double,double,double,double,double,double,double,double,double,double,double,double,double,double,double,double,double,double)

dD_dv6(...)

 

dD_dv6( (float), (float), (float), (float), (float), (float), (float), (float), (float), (float), (float), (float), (float), (float), (float), (float), (float), (float), (float)) -> float :
    protocols/pockets/Fingerprint.hh:365

    C++ signature :
        double dD_dv6(double,double,double,double,double,double,double,double,double,double,double,double,double,double,double,double,double,double,double)