Dear all,
as there is so much Geometry functionality within the RDKit, I wonder if
it provides a function that computes the DistanceMatrix of a list of
Point3D Objects.
If RDKit does not have this functionality, can anyone give Ideas if the
Boost Libaries themselve are capable of that?
At the moment I have my own compiled version of the C Clustering Library
(PyCluster) which is modified on C Code Level in order to get a
distancematrix, but this Libraries do not out of the box calculate the
spatial Distance.
Thanks in advance,
Markus
