Re: [Rdkit-discuss] SMILES string from SureChEMBL iPython Notebook Tutorial

Hi Dmitri, The results that come back from the MCS in that examples really describe queries, not necessarily stable molecules or things that can be accurately translated into SMILES. I'll describe below what's going on to cause the error, but the more important question is: what are you trying

Re: [Rdkit-discuss] conda build of Release_2016_03_2 failed on Ubuntu 16.04.

Hi Axel, thanks a lot for your help, using the development branch and the > Release_2016_03_2 git tag in rdkit/meta.yaml worked. > I now get a strange error in anaconda when actually trying to install the > package (Error: Invalid version spec: ==), but that seems to be unrelated > to RDKit

[Rdkit-discuss] SMILES string from SureChEMBL iPython Notebook Tutorial

Dear RDKitters, I would appreciate any comments on the following: I am looking at the 'SureChEMBL iPython Notebook Tutorial' http://nbviewer.jupyter.org/github/rdkit/UGM_2014/blob/master/Notebooks/Vardenafil.ipynb following along with rdkit '2016.03.1' on OSX In Cell 142, there is this