Hi Noel,
On Fri, Jan 30, 2009 at 10:31 AM, Noel O'Boyle <baoille...@gmail.com> wrote: > > Am I right in saying that there are no 3D descriptors in RDKit? That > they're all either 1D or 2D? Not completely. The feature map and feature-map vector code is a 3D descriptor. One could argue that the shape-similarity stuff is also something of a descriptor. -greg
