Package | Description |
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org.biojava.nbio.structure.contact |
Modifier and Type | Method and Description |
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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<List<Group>> |
StructureInterface.getInterfacingResidues(double minAsaForSurface)
Returns the residues belonging to the interface, i.e.
|
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<Compound> |
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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