| Safe Haskell | None |
|---|---|
| Language | Haskell98 |
Bio.PDB.Structure.Neighbours
Description
Searching for neighbouring atoms in a 3D space using Octree.
- makeOctree :: Iterable a Atom => a -> AtomOctree
- findInRadius :: AtomOctree -> Double -> Vector3 -> [(Vector3, Atom)]
- findNearest :: AtomOctree -> Vector3 -> Maybe (Vector3, Atom)
- type AtomOctree = Octree Atom
Documentation
makeOctree :: Iterable a Atom => a -> AtomOctree #
Make an Octree of Atoms
findInRadius :: AtomOctree -> Double -> Vector3 -> [(Vector3, Atom)] #
Find all Atoms within a given radius from a point.
findNearest :: AtomOctree -> Vector3 -> Maybe (Vector3, Atom) #
Find an Atoms closest to a point.
type AtomOctree = Octree Atom #
Octree of Atoms.