| Package | Description | 
|---|---|
| org.biojava.nbio.structure.align.util | |
| 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 | 
|---|---|
| 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. 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<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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