The best fit between two shapes or molecules
A. N. Barrett, Alan Lindsay Mackay · 1987
It is often necessary to compare two objects, such as a pair of molecules, where one array of numbered points in space is to be matched against another correspondingly numbered set. There are several other more difficult cases where corresponding points are not numbered or perhaps even not identified as points but are only part of a continuous density distribution. A considerable number of methods have been developed.