OENearestNbrsMethod

This namespace contains constants.

This namespace contains constants representing various heuristics used to search for nearest neighbors.

See also

• OEGetNearestNbrs function

• OENearestNbrs class

Default

The default method is OENearestNbrsMethod.Auto.

Auto

When using the OENearestNbrsMethod.Auto constant, the algorithm that is utilized to search the nearest neighbors will be determined by the size of the molecule.

AllByAll

This represent a method that is suitable for searching nearest neighbors in small molecules.

LocalHash

This represent a method that is suitable for searching nearest neighbors in large molecules such as proteins.

ZCoordSort

This represent a method that is suitable for searching nearest neighbors in mid-sized molecules.