如何使RDKit与ipython3一起使用？

Question

I'm trying to get the module imolecule working with ipython3 (which I've already installed). imolecule is included as a part of RDKit (which apparently works with python 3) so the first step is to install RDKit. I used the command:

sudo apt-get install python-rdkit librdkit1 rdkit-data

found here in section 2.2 of the RDKit documentation. When I did 'import rdkit' in python 2 it worked but it didn't in python 3 or ipython3, and when I removed the original RDKit installation and tried to redo it with 'python3-rdkit' that didn't work. How can I solve this problem?

Answer 1

I think that installs an old version of RDKit (the repos is not updated, follow the installation instructions here http://www.blopig.com/blog/2013/02/how-to-install-rdkit-on-ubuntu-12-04/

Also, RDKit supports python 3 since over a year now... http://rdkit.blogspot.com.mt/2014/11/switching-to-python-3.html