Uses of Class
com.actelion.research.chem.descriptor.flexophore.MolDistHistViz
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Uses of MolDistHistViz in com.actelion.research.chem.descriptor
Methods in com.actelion.research.chem.descriptor that return MolDistHistViz Modifier and Type Method Description MolDistHistViz
DescriptorHandlerFlexophore. createVisualDescriptor(StereoMolecule fragBiggest)
This descriptor contains the molecule used for construction.MolDistHistViz
DescriptorHandlerFlexophore. createVisualDescriptorSingleConf(ConformerSet conformerSet)
Methods in com.actelion.research.chem.descriptor with parameters of type MolDistHistViz Modifier and Type Method Description ModelSolutionSimilarity
DescriptorHandlerFlexophore. getBestMatch(MolDistHistViz mdhvBase, MolDistHistViz mdhvQuery)
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Uses of MolDistHistViz in com.actelion.research.chem.descriptor.flexophore
Subclasses of MolDistHistViz in com.actelion.research.chem.descriptor.flexophore Modifier and Type Class Description class
MolDistHistVizFrag
Methods in com.actelion.research.chem.descriptor.flexophore that return MolDistHistViz Modifier and Type Method Description MolDistHistViz
MolDistHistViz. copy()
MolDistHistViz
IDescriptorHandlerFlexophore. createVisualDescriptor(StereoMolecule mol)
MolDistHistViz
MolDistHistVizEncoder. readEncoded(java.lang.String vizinfo, java.lang.String flexophore)
static MolDistHistViz
MolDistHistViz. summarizeAlkaneCluster(MolDistHistViz mdh, int maxDistance)
Summarizes alkane cluster.Methods in com.actelion.research.chem.descriptor.flexophore with parameters of type MolDistHistViz Modifier and Type Method Description void
MolDistHistViz. copy(MolDistHistViz copy)
ModelSolutionSimilarity
IDescriptorHandlerFlexophore. getBestMatch(MolDistHistViz mdhvBase, MolDistHistViz mdhvQuery)
static void
MolDistHistViz. merge(MolDistHistViz mdhviz, MolDistHist mdh)
Deprecated.static MolDistHistViz
MolDistHistViz. summarizeAlkaneCluster(MolDistHistViz mdh, int maxDistance)
Summarizes alkane cluster.static java.lang.String
MolDistHistVizEncoder. toStringVizInfoEncoded(MolDistHistViz mdhv)
Encodes the structure information, that it can be written to an DWAR file.Constructors in com.actelion.research.chem.descriptor.flexophore with parameters of type MolDistHistViz Constructor Description MolDistHistViz(MolDistHistViz mdhv)
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Uses of MolDistHistViz in com.actelion.research.chem.descriptor.flexophore.example
Methods in com.actelion.research.chem.descriptor.flexophore.example that return MolDistHistViz Modifier and Type Method Description static MolDistHistViz
MatchFlexophoreNodesMain. create(IDCodeParser parser, DescriptorHandlerFlexophore dh, java.lang.String idcode)
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Uses of MolDistHistViz in com.actelion.research.chem.descriptor.flexophore.generator
Methods in com.actelion.research.chem.descriptor.flexophore.generator that return MolDistHistViz Modifier and Type Method Description MolDistHistViz
CreatorMolDistHistViz. create(StereoMolecule molOrig)
static MolDistHistViz
CreatorMolDistHistViz. create(java.util.List<MultCoordFragIndex> liMultCoordFragIndex, Molecule3D molecule3D)
static MolDistHistViz
FlexophoreCreateFunctions. create(IDCodeCoord idcodeCoord)
static MolDistHistViz
FlexophoreCreateFunctions. create(java.lang.String idcode)
static MolDistHistViz
FlexophoreCreateFunctions. create(java.lang.String idcode, java.lang.String coord)
static MolDistHistViz
FlexophoreCreateFunctions. createDescriptor(StereoMolecule mol)
MolDistHistViz
CreatorMolDistHistViz. createFromGivenConformation(StereoMolecule molOrig)
MolDistHistViz
CreatorMolDistHistViz. createMultipleConformations(StereoMolecule molOrig)
Conformation generator of Thomas SanderMethods in com.actelion.research.chem.descriptor.flexophore.generator that return types with arguments of type MolDistHistViz Modifier and Type Method Description static java.util.List<MolDistHistViz>
SubFlexophoreGenerator. generateSubPharmacophores(MolDistHistViz mdhv, int size)
Generates a list of sub-fragments.static java.util.List<MolDistHistViz>
SubFlexophoreGenerator. generateSubPharmacophores(MolDistHistViz mdhv, int minNumPPPoints, int maxNumPPPoints)
static java.util.List<MolDistHistViz>
SubFlexophoreGenerator. generateSubPharmacophores(java.util.List<MolDistHistViz> liMDHV, int minNumPPPoints, int maxNumPPPoints)
Methods in com.actelion.research.chem.descriptor.flexophore.generator with parameters of type MolDistHistViz Modifier and Type Method Description static java.util.List<MolDistHistViz>
SubFlexophoreGenerator. generateSubPharmacophores(MolDistHistViz mdhv, int size)
Generates a list of sub-fragments.static java.util.List<MolDistHistViz>
SubFlexophoreGenerator. generateSubPharmacophores(MolDistHistViz mdhv, int minNumPPPoints, int maxNumPPPoints)
static MolDistHistVizFrag
SubFlexophoreGenerator. getSubFragment(MolDistHistViz mdh, int[] arrIndices)
static java.util.List<MolDistHistVizFrag>
SubFlexophoreGenerator. getSubFragments(MolDistHistViz mdh, java.util.List<int[]> liIndices)
Inevitable pharmacophore points are considered (01.11.2012)Method parameters in com.actelion.research.chem.descriptor.flexophore.generator with type arguments of type MolDistHistViz Modifier and Type Method Description static java.util.List<MolDistHistViz>
SubFlexophoreGenerator. generateSubPharmacophores(java.util.List<MolDistHistViz> liMDHV, int minNumPPPoints, int maxNumPPPoints)
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