Package | Description |
---|---|
org.biojava.nbio.structure.align.util | |
org.biojava.nbio.structure.basepairs | |
org.biojava.nbio.structure.contact |
Modifier and Type | Method and Description |
---|---|
Pair<Atom> |
RotationAxis.getAxisEnds(Atom[] atoms)
Find a segment of the axis that covers the specified set of atoms.
|
Modifier and Type | Method and Description |
---|---|
List<Pair<Group>> |
TertiaryBasePairParameters.findPairs(List<Chain> chains)
This is an alternative implementation of findPair() that looks for anything that would fit the
criteria for a base-pair, useful for the context of tertiary structure of RNA.
|
List<Pair<Group>> |
BasePairParameters.findPairs(List<Chain> chains)
This method performs a search for base pairs in the structure.
|
List<Pair<Group>> |
MismatchedBasePairParameters.findPairs(List<Chain> chains)
This is an implementation for finding non-canonical base pairs when there may be missing or overhanging bases.
|
Modifier and Type | Method and Description |
---|---|
javax.vecmath.Matrix4d |
BasePairParameters.basePairReferenceFrame(Pair<Group> pair)
This method calculates the central frame (4x4 transformation matrix) of a single base pair.
|
Modifier and Type | Method and Description |
---|---|
Pair<List<Group>> |
StructureInterface.getCoreResidues(double bsaToAsaCutoff,
double minAsaForSurface)
Returns the residues belonging to the interface core, defined as those residues at
the interface (BSA>0) and for which the BSA/ASA ratio is above the given bsaToAsaCutoff
|
Pair<String> |
StructureInterface.getCrystalIds()
Returns a pair of identifiers for each of the 2 member molecules that
identify them uniquely in the crystal:
<molecule id (asym unit id)>+<operator id>+<crystal translation>
|
Pair<Integer> |
Contact.getIndexPair() |
Pair<List<Group>> |
StructureInterface.getInterfacingResidues(double minAsaForSurface)
Returns the residues belonging to the interface, i.e. the residues
at the surface with BSA>0
|
Pair<String> |
StructureInterface.getMoleculeIds()
Return the pair of identifiers identifying each of the 2 molecules of this interface
in the asymmetry unit (usually the chain identifier if this interface is between 2 chains)
|
Pair<Atom[]> |
StructureInterface.getMolecules() |
Pair<Group> |
GroupContact.getPair() |
Pair<Atom> |
AtomContact.getPair() |
Pair<Chain> |
StructureInterface.getParentChains()
Finds the parent chains by looking up the references of first atom of each side of this interface
|
Pair<EntityInfo> |
StructureInterface.getParentCompounds()
Finds the parent compounds by looking up the references of first atom of each side of this interface
|
Pair<List<Group>> |
StructureInterface.getRimResidues(double bsaToAsaCutoff,
double minAsaForSurface)
Returns the residues belonging to the interface rim, defined as those residues at
the interface (BSA>0) and for which the BSA/ASA ratio is below the given bsaToAsaCutoff
|
Pair<List<Group>> |
StructureInterface.getSurfaceResidues(double minAsaForSurface)
Returns the residues belonging to the surface
|
Pair<CrystalTransform> |
StructureInterface.getTransforms()
Return the 2 crystal transform operations performed on each of the
molecules of this interface.
|
Modifier and Type | Method and Description |
---|---|
void |
StructureInterface.setMoleculeIds(Pair<String> moleculeIds) |
void |
StructureInterface.setMolecules(Pair<Atom[]> molecules) |
void |
AtomContact.setPair(Pair<Atom> pair) |
void |
GroupContact.setPair(Pair<Group> pair) |
void |
StructureInterface.setTransforms(Pair<CrystalTransform> transforms) |
Constructor and Description |
---|
AtomContact(Pair<Atom> pair,
double distance) |
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