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scoring_grid Directory Reference
Directory dependency graph for scoring_grid:
src/protocols/qsar/scoring_grid

Files

file  AtrGrid.cc
 
file  AtrGrid.fwd.hh
 
file  AtrGrid.hh
 
file  AtrGridCreator.hh
 
file  ChargeGrid.cc
 This is an implementation of equation 3 in Goodford, J. Med. Chem. 1985,28,849-857. doi:10.1021/jm00145a002.
 
file  ChargeGrid.fwd.hh
 
file  ChargeGrid.hh
 This is an implementation of equation 3 in Goodford, J. Med. Chem. 1985,28,849-857. doi:10.1021/jm00145a002.
 
file  ChargeGridCreator.hh
 
file  ClassicGrid.cc
 
file  ClassicGrid.fwd.hh
 
file  ClassicGrid.hh
 
file  ClassicGridCreator.hh
 
file  ConstantScoreBase.fwd.hh
 
file  ConstantScoreBase.hh
 this is a base class for defining constant terms which are computed over an entire ligand rather than on a per atom basis The unneeded functions are stubbed out, everything left is pure virtual.
 
file  GridBase.fwd.hh
 
file  GridBase.hh
 
file  GridCreator.cc
 
file  GridCreator.hh
 Base class for GridCreators for the Grid load time factory registration scheme.
 
file  GridFactory.cc
 
file  GridFactory.fwd.hh
 
file  GridFactory.hh
 
file  GridManager.cc
 
file  GridManager.fwd.hh
 
file  GridManager.hh
 
file  GridSet.cc
 A set of related grids.
 
file  GridSet.fwd.hh
 A set of related grids.
 
file  GridSet.hh
 A set of related grids.
 
file  HbaGrid.cc
 
file  HbaGrid.fwd.hh
 
file  HbaGrid.hh
 
file  HbaGridCreator.hh
 
file  HbdGrid.cc
 
file  HbdGrid.fwd.hh
 
file  HbdGrid.hh
 
file  HbdGridCreator.hh
 
file  LigandPropertyScore.cc
 
file  LigandPropertyScore.fwd.hh
 
file  LigandPropertyScore.hh
 
file  LigandPropertyScoreCreator.hh
 
file  PCSMultiGrid.cc
 implementation of PCSMultiGrid
 
file  PCSMultiGrid.fwd.hh
 forward declaration for class PCSMultiGrid
 
file  PCSMultiGrid.hh
 class that setups a vector of scoring grids with PseudoContactShift (PCS) values
 
file  PCSMultiGridCreator.hh
 creator class for nested PCS scoring grid
 
file  PCSSingleGrid.cc
 implementation of PCSSingleGrid
 
file  PCSSingleGrid.fwd.hh
 forward declaration for class PCSSingleGrid
 
file  PCSSingleGrid.hh
 class that setups a single scoring grid with PseudoContactShift (PCS) values
 
file  PCSSingleGridCreator.hh
 creator class for simple PCS scoring grid
 
file  RepGrid.cc
 
file  RepGrid.fwd.hh
 
file  RepGrid.hh
 
file  RepGridCreator.hh
 
file  schema_util.cc
 Utility functions for defining XML Schema for scoring grids.
 
file  schema_util.hh
 Utility functions for defining XML Schema for scoring grids.
 
file  ScoreNormalization.cc
 Header file for Score Normalization methods.
 
file  ScoreNormalization.fwd.hh
 report data to database
 
file  ScoreNormalization.hh
 Header file for Score Normalization methods.
 
file  ScoringGridLoader.cc
 
file  ScoringGridLoader.fwd.hh
 
file  ScoringGridLoader.hh
 
file  ScoringGridLoaderCreator.hh
 Creator classes for the default DataLoader classes, TaskOperationLoader and ScoreFunctionLoader.
 
file  ShapeGrid.cc
 
file  ShapeGrid.fwd.hh
 
file  ShapeGrid.hh
 
file  ShapeGridCreator.hh
 
file  SingleGrid.cc
 
file  SingleGrid.fwd.hh
 
file  SingleGrid.hh
 
file  SiteGrid.cc
 
file  SiteGrid.fwd.hh
 
file  SiteGrid.hh
 
file  SiteGridCreator.hh
 
file  SolvationGrid.cc
 
file  SolvationGrid.fwd.hh
 
file  SolvationGrid.hh
 
file  SolvationGridCreator.hh
 
file  SolvationMetaGrid.cc
 
file  SolvationMetaGrid.fwd.hh
 
file  SolvationMetaGrid.hh
 
file  SolvationMetaGridCreator.hh
 
file  VdwGrid.cc
 
file  VdwGrid.fwd.hh
 
file  VdwGrid.hh
 
file  VdwGridCreator.hh