Rosetta
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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 | LipidMemGrid.cc |
implementation of LipidMemGrid | |
file | LipidMemGrid.fwd.hh |
file | LipidMemGrid.hh |
implementation of LipidMemGrid | |
file | LipidMemGridCreator.hh |
creator class for nested Lipid Membrane scoring grid | |
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 |