Re: [Rdkit-devel] GenerateDepictionMatching3DStructure

2016-11-23 Thread Brian Kelley
There has been a bit of discussion about this anyway, I find the tutorial in the RDKit book is pretty good, but perhaps we can fill in the gaps here as well. In addition, I have a PR that makes the constrained depictions from distance matrices work with both the N**2 and diagonal (N*N-1)/2 matric

Re: [Rdkit-devel] GenerateDepictionMatching3DStructure

2016-11-22 Thread Greg Landrum
Hi Dave, On Tue, Nov 22, 2016 at 11:08 AM, David Cosgrove wrote: > > I really couldn't decide whether this should just be for you, or to the > whole list, so I decided to defer the decision to you! > Seems like it's appropriate for the -devel list, so I'm including it on the reply. > I'm look