Uses of Class
com.actelion.research.chem.io.pdb.converter.MoleculeGrid
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Packages that use MoleculeGrid Package Description com.actelion.research.chem.docking com.actelion.research.chem.docking.receptorpharmacophore com.actelion.research.chem.docking.scoring -
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Uses of MoleculeGrid in com.actelion.research.chem.docking
Methods in com.actelion.research.chem.docking with parameters of type MoleculeGrid Modifier and Type Method Description static void
DockingEngine. getBindingSiteAtoms(StereoMolecule receptor, java.util.Set<java.lang.Integer> bindingSiteAtoms, MoleculeGrid grid, boolean includeHydrogens)
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Uses of MoleculeGrid in com.actelion.research.chem.docking.receptorpharmacophore
Subclasses of MoleculeGrid in com.actelion.research.chem.docking.receptorpharmacophore Modifier and Type Class Description class
NegativeReceptorImage
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Uses of MoleculeGrid in com.actelion.research.chem.docking.scoring
Fields in com.actelion.research.chem.docking.scoring declared as MoleculeGrid Modifier and Type Field Description protected MoleculeGrid
AbstractScoringEngine. grid
Constructors in com.actelion.research.chem.docking.scoring with parameters of type MoleculeGrid Constructor Description AbstractScoringEngine(StereoMolecule receptor, java.util.Set<java.lang.Integer> bindingSiteAtoms, MoleculeGrid grid)
ChemPLP(Molecule3D receptor, java.util.Set<java.lang.Integer> bindingSiteAtoms, MoleculeGrid grid)
IdoScore(StereoMolecule receptor, java.util.Set<java.lang.Integer> bindingSiteAtoms, int[] receptorAtomTypes, MoleculeGrid grid)
ProbeScanning(StereoMolecule receptor, java.util.Set<java.lang.Integer> bindingSiteAtoms, MoleculeGrid grid)
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