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scoring_grid
scoring_grid Directory Reference
Directory dependency graph for scoring_grid:
Files
file
AtrGrid.cc
[code]
file
AtrGrid.fwd.hh
[code]
file
AtrGrid.hh
[code]
file
AtrGridCreator.hh
[code]
file
ChargeGrid.cc
[code]
This is an implementation of equation 3 in Goodford, J. Med. Chem. 1985,28,849-857. doi:10.1021/jm00145a002.
file
ChargeGrid.fwd.hh
[code]
file
ChargeGrid.hh
[code]
This is an implementation of equation 3 in Goodford, J. Med. Chem. 1985,28,849-857. doi:10.1021/jm00145a002.
file
ChargeGridCreator.hh
[code]
file
ClassicGrid.cc
[code]
file
ClassicGrid.fwd.hh
[code]
file
ClassicGrid.hh
[code]
file
ClassicGridCreator.hh
[code]
file
ConstantScoreBase.fwd.hh
[code]
file
ConstantScoreBase.hh
[code]
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
[code]
file
GridBase.hh
[code]
file
GridCreator.cc
[code]
file
GridCreator.hh
[code]
Base class for GridCreators for the Grid load time factory registration scheme.
file
GridFactory.cc
[code]
file
GridFactory.fwd.hh
[code]
file
GridFactory.hh
[code]
file
GridInitMover.cc
[code]
file
GridInitMover.fwd.hh
[code]
file
GridInitMover.hh
[code]
file
GridInitMoverCreator.hh
[code]
file
GridManager.cc
[code]
file
GridManager.fwd.hh
[code]
file
GridManager.hh
[code]
file
HbaGrid.cc
[code]
file
HbaGrid.fwd.hh
[code]
file
HbaGrid.hh
[code]
file
HbaGridCreator.hh
[code]
file
HbdGrid.cc
[code]
file
HbdGrid.fwd.hh
[code]
file
HbdGrid.hh
[code]
file
HbdGridCreator.hh
[code]
file
LigandPropertyScore.cc
[code]
file
LigandPropertyScore.fwd.hh
[code]
file
LigandPropertyScore.hh
[code]
file
LigandPropertyScoreCreator.hh
[code]
file
RepGrid.cc
[code]
file
RepGrid.fwd.hh
[code]
file
RepGrid.hh
[code]
file
RepGridCreator.hh
[code]
file
ScoreNormalization.cc
[code]
Header file for Score Normalization methods.
file
ScoreNormalization.fwd.hh
[code]
report data to database
file
ScoreNormalization.hh
[code]
Header file for Score Normalization methods.
file
ScoringGridLoader.cc
[code]
file
ScoringGridLoader.fwd.hh
[code]
file
ScoringGridLoader.hh
[code]
file
ScoringGridLoaderCreator.hh
[code]
Creator classes for the default DataLoader classes, TaskOperationLoader and ScoreFunctionLoader.
file
ShapeGrid.cc
[code]
file
ShapeGrid.fwd.hh
[code]
file
ShapeGrid.hh
[code]
file
ShapeGridCreator.hh
[code]
file
SingleGrid.cc
[code]
file
SingleGrid.fwd.hh
[code]
file
SingleGrid.hh
[code]
file
SolvationGrid.cc
[code]
file
SolvationGrid.fwd.hh
[code]
file
SolvationGrid.hh
[code]
file
SolvationGridCreator.hh
[code]
file
SolvationMetaGrid.cc
[code]
file
SolvationMetaGrid.fwd.hh
[code]
file
SolvationMetaGrid.hh
[code]
file
SolvationMetaGridCreator.hh
[code]
file
VdwGrid.cc
[code]
file
VdwGrid.fwd.hh
[code]
file
VdwGrid.hh
[code]
file
VdwGridCreator.hh
[code]
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