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

2016-06-28 Thread Markus Sitzmann
Hi, unfortunately I have another problem - rdkit-postgres isn't building for me since the change to Release_2016_03_2. Is that a known problem? Below is the end of the build log. I only let build the py35-part (+ncurses) of the Dockerscript. Thanks & Best, Markus BUILD START:

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

2016-06-28 Thread DmitriR
Hi Brian, First off, now I can capture the warnings, so for practical purposes my question has been addressed, thank you for helping me get to this point. Cool trick with StringIO. I can even just do: Python 3.5.1 :: Anaconda 2.4.0 (x86_64), OSX 10.11.5, jupyter 4.1.0, Firefox ``` import io

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

2016-06-28 Thread DmitriR
Hi Greg - Thank you very much for the clear and detailed explanation! (and, now that I have a chance to say this, thank you for putting the project together; being able to work with chemistry in the python notebook is great, and having hooks into pandas is really cool) In this case I was

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

2016-06-28 Thread Axel Pahl
Hi Riccardo, thanks, I found the problem. As suspected it was related to conda and had nothing to do with RDKit (https://github.com/conda/conda/issues/2212#issuecomment-228277548). Many thanks for your help. Kind regards, Axel On 27.06.2016 22:44, Riccardo Vianello wrote: Hi Axel,