Package | Description |
---|---|
org.biojava.nbio.structure.contact | |
org.biojava.nbio.structure.xtal |
Modifier and Type | Method and Description |
---|---|
void |
Grid.addAtoms(Atom[] atoms,
BoundingBox bounds)
Adds a set of atoms, subsequent call to
Grid.getIndicesContacts() or Grid.getAtomContacts() will produce the interatomic contacts. |
void |
Grid.addAtoms(Atom[] iAtoms,
BoundingBox icoordbounds,
Atom[] jAtoms,
BoundingBox jcoordbounds)
Adds the i and j atoms and fills the grid, passing their bounds (array of size 6 with x,y,z minima and x,y,z maxima)
This way the bounds don't need to be recomputed.
|
void |
Grid.addCoords(javax.vecmath.Point3d[] atoms,
BoundingBox bounds)
Adds a set of coordinates, subsequent call to
Grid.getIndicesContacts() will produce the
contacts, i.e. the set of points within distance cutoff. |
void |
Grid.addCoords(javax.vecmath.Point3d[] iAtoms,
BoundingBox icoordbounds,
javax.vecmath.Point3d[] jAtoms,
BoundingBox jcoordbounds)
Adds the i and j coordinates and fills the grid, passing their bounds (array of size 6 with x,y,z minima and x,y,z maxima)
This way the bounds don't need to be recomputed.
|
boolean |
BoundingBox.overlaps(BoundingBox o,
double cutoff)
Returns true if this bounding box overlaps given one, i.e. they are within
one cutoff distance in one of their 3 dimensions.
|
Constructor and Description |
---|
BoundingBox(BoundingBox bb) |
BoundingBox(BoundingBox[] boxes)
Given a set of bounding boxes returns a bounding box that bounds all of them.
|
Modifier and Type | Method and Description |
---|---|
BoundingBox |
UnitCellBoundingBox.getAuBoundingBox(int cellIdx)
Get the AU BoundingBox for the given cell index (cellIdx=0 would be original AU)
The AU BoundingBox is the BoundingBox that bounds all chains belonging to the AU
|
BoundingBox |
UnitCellBoundingBox.getChainBoundingBox(int cellIdx,
int chainIdx)
Get the chain BoundingBox for the given cell index (cellIdx=0 would be original AU)
and chain index
|
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