Uses of Class
com.actelion.research.chem.descriptor.flexophore.MolDistHistViz

Packages that use MolDistHistViz

Package	Description
com.actelion.research.chem.descriptor
com.actelion.research.chem.descriptor.flexophore
com.actelion.research.chem.descriptor.flexophore.example
com.actelion.research.chem.descriptor.flexophore.generator

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)

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)

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)

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	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 Sander

Methods 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)