Re: [Rdkit-discuss] Could not embed molecule. (The Anthony Conundrum)

2013-06-21 Thread Greg Landrum
Hi JP, On Wed, Jun 19, 2013 at 7:07 PM, JP jeanpaul.ebe...@inhibox.com wrote: Dearest RDKitters, I am trying to help a friend of mine, with an RDKit issue (using the latest RDKit) and I am surprised by some output we are getting. Perhaps someone here has an explanation. import rdkit

Re: [Rdkit-discuss] Could not embed molecule. (The Anthony Conundrum)

2013-06-21 Thread JP
On 21 June 2013 10:10, Greg Landrum greg.land...@gmail.com wrote: Do you mind doing a bug report on github for this? Not at all. Done. I cannot assign labels or milestones to it - I assume this is on purpose, so you can organize the issues list yourself (mind you, this is a good idea to have

[Rdkit-discuss] Could not embed molecule. (The Anthony Conundrum)

2013-06-19 Thread JP
Dearest RDKitters, I am trying to help a friend of mine, with an RDKit issue (using the latest RDKit) and I am surprised by some output we are getting. Perhaps someone here has an explanation. import rdkit from rdkit import Chem from rdkit.Chem import AllChem core =