| Modifier and Type | Method and Description |
|---|---|
Map<StructuralMotif,List<StructuralMotif>> |
AffinityAlignment.getClusters() |
Map<StructuralMotif,List<StructuralMotif>> |
AffinityAlignment.getClusters() |
LabeledSymmetricMatrix<StructuralMotif> |
AffinityAlignment.getDistanceMatrix() |
| Modifier and Type | Method and Description |
|---|---|
AffinityAlignment.AtomStep |
AffinityAlignment.InputStep.inputStructuralMotifs(List<StructuralMotif> structuralMotifs) |
AffinityAlignment.AtomStep |
AffinityAlignment.Builder.inputStructuralMotifs(List<StructuralMotif> structuralMotifs) |
| Modifier and Type | Method and Description |
|---|---|
StructuralMotif |
ConsensusContainer.getStructuralMotif() |
| Modifier and Type | Method and Description |
|---|---|
ConsensusBuilder.AtomStep |
ConsensusBuilder.InputStep.inputStructuralMotifs(List<StructuralMotif> structuralMotifs)
Defines the input
StructuralMotifs for the ConsensusAlignment. |
ConsensusBuilder.AtomStep |
ConsensusBuilder.Builder.inputStructuralMotifs(List<StructuralMotif> structuralMotifs) |
| Constructor and Description |
|---|
ConsensusContainer(StructuralMotif structuralMotif,
boolean consensus) |
| Modifier and Type | Method and Description |
|---|---|
StructuralMotif |
Fit3DMatch.getCandidateMotif() |
| Modifier and Type | Method and Description |
|---|---|
Fit3DBuilder.TargetStep |
Fit3DBuilder.QueryStep.query(StructuralMotif query)
Defines the query motif for this
Fit3D search. |
Fit3DBuilder.TargetStep |
Fit3DBuilder.Builder.query(StructuralMotif query) |
Fit3DBuilder.SiteStep |
Fit3DBuilder.QueryStep.site(StructuralMotif site)
Defines a site that should be aligned against another.
|
Fit3DBuilder.SiteStep |
Fit3DBuilder.Builder.site(StructuralMotif site1) |
Fit3DBuilder.SiteParameterConfigurationStep |
Fit3DBuilder.SiteStep.vs(StructuralMotif site)
Defines the second site for the pairwise site alignment.
|
Fit3DBuilder.SiteParameterConfigurationStep |
Fit3DBuilder.Builder.vs(StructuralMotif site2) |
| Modifier and Type | Method and Description |
|---|---|
static double |
FofanovEstimation.determineEpsilon(StructuralMotif queryMotif,
double modelCorrectnessCutoff)
This calculates the cutoff epsilon up to which the RMSD distribution should be sampled for a desired model
correctness.
|
| Modifier and Type | Method and Description |
|---|---|
static StructuralMotif |
StructuralMotif.fromLeafIdentifiers(Structure structure,
List<LeafIdentifier> leafIdentifiers)
Creates a
StructuralMotif by extracting the given residues identified by a list of LeafIdentifiers. |
static StructuralMotif |
StructuralMotif.fromLeafSubstructures(List<LeafSubstructure<?>> leafSubstructures)
Forms a
StructuralMotif out of the given LeafSubstructures. |
StructuralMotif |
StructuralMotif.getCopy() |
| Modifier and Type | Method and Description |
|---|---|
static LabeledSymmetricMatrix<StructuralMotif> |
StructuralMotifs.calculateRmsdMatrix(List<StructuralMotif> structuralMotifs,
boolean idealSuperimposition)
Performs a superimposition of given
StructuralMotifs using arbitrary atoms and returns the RMSD distance
matrix between all elements. |
static LabeledSymmetricMatrix<StructuralMotif> |
StructuralMotifs.calculateRmsdMatrix(List<StructuralMotif> structuralMotifs,
Predicate<Atom> atomFilter,
boolean idealSuperimposition)
Performs a superimposition of given
StructuralMotifs using the specified StructuralEntityFilter.AtomFilter and returns the RMSD distance matrix between all elements. |
| Modifier and Type | Method and Description |
|---|---|
static void |
StructuralMotifs.assignComplexExchanges(StructuralMotif structuralMotif,
EnumSet<MatcherFamily> familyGroup)
Assigns the given
EnumSet of exchanges to the specified StructuralMotif. |
static StructuralMotif.Type |
StructuralMotif.Type.determine(StructuralMotif structuralMotif) |
| Modifier and Type | Method and Description |
|---|---|
static LabeledSymmetricMatrix<StructuralMotif> |
StructuralMotifs.calculateRmsdMatrix(List<StructuralMotif> structuralMotifs,
boolean idealSuperimposition)
Performs a superimposition of given
StructuralMotifs using arbitrary atoms and returns the RMSD distance
matrix between all elements. |
static LabeledSymmetricMatrix<StructuralMotif> |
StructuralMotifs.calculateRmsdMatrix(List<StructuralMotif> structuralMotifs,
Predicate<Atom> atomFilter,
boolean idealSuperimposition)
Performs a superimposition of given
StructuralMotifs using the specified StructuralEntityFilter.AtomFilter and returns the RMSD distance matrix between all elements. |
| Modifier and Type | Method and Description |
|---|---|
static StructureSelector.StructuralModelStep |
StructureSelector.selectFrom(StructuralMotif structuralMotif) |
| Constructor and Description |
|---|
Selector(StructuralMotif structuralMotif) |
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