Il 29/06/2017 16:02, Greg Landrum ha scritto:
> Hi,
>
> This (or something like it) happens to me all the time: you need to
> install Jupyter in the new environment too.
>
> The only reason what you are currently doing even halfway works is
> because you have Jupyter installed in the default conda environment
> and that is being used when you launch the notebook from the shell
>

Thank you very much, it worked! I attach the complete commands list, so
that it could help any other users

Install Anaconda
then following [1] run

$ conda create -c rdkit -n my-rdkit-env rdkit
$ source activate my-rdkit-env
(missing line) $ conda install jupyter
then

$ jupyter-notebook --ip foo_ip --port 8890

then from jupyter notebook

from rdkit import Chem
from rdkit.Chem import AllChem
from rdkit.Chem import Descriptors


[1]: http://www.rdkit.org/docs/Install.html




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