Yes, it was that.
Thanks!
On Sat, Oct 1, 2016 at 7:08 AM, Greg Landrum <[email protected]> wrote:
> Could it be that you have forgotten to "conda install jupyter" in the
> environment where the RDKit is installed?
>
>
> On Fri, Sep 30, 2016 at 9:32 AM, Gonzalo Colmenarejo <
> [email protected]> wrote:
>
>> Thanks Markus, but I'm still confused. After following your steps, I
>> activate the my-rdkit-env conda environment from the Anaconda command
>> prompt, then launch jupyter notebook from there, and then I see three conda
>> environments there, and one of those is my-rdkit-env. However, when I go to
>> files/new/notebook I only see Python [root] and Python [py27] as
>> environments and if I create a notebook and run my rdkit code I get the
>> ImportError: No module named rdkit.
>>
>> Any help on how to set the conda environment in jupyter to be able to run
>> rdkit stuff? Sorry, I'm not very familiar with conda. I really appreciate
>> all the help received so far.
>>
>> Thanks in advance
>>
>> Gonzalo
>>
>> On Mon, Sep 26, 2016 at 10:27 PM, Markus Sitzmann <
>> [email protected]> wrote:
>>
>>> Hi Gonzalo,
>>>
>>> after you activated my-rdkit-env, try to install rdkit by
>>>
>>> conda install -c https://conda.anaconda.org/rdkit rdkit
>>>
>>> Alternatively, if you go a step back, you can also start with
>>>
>>> conda create -c https://conda.anaconda.org/rdkit -n
>>> give-your-environment-whatever-name-you-want rdkit
>>>
>>> and then activate "give-your-enviroment-whatever-name-you-want"
>>>
>>> Your error message above just says that you are trying to create a
>>> environment with the same name again
>>>
>>> Markus
>>>
>>> On Mon, Sep 26, 2016 at 2:11 PM, Gonzalo Colmenarejo <
>>> [email protected]> wrote:
>>>
>>>> Thanks a lot, Marta. Still, after activating the environment, I get in
>>>> jupyter the "ImportError: No module named rdkit".
>>>>
>>>> This is confusing...
>>>>
>>>>
>>>> On Mon, Sep 26, 2016 at 1:56 PM, Marta Stępniewska-Dziubińska <
>>>> [email protected]> wrote:
>>>>
>>>>> Hi Gonzalo,
>>>>> You need to activate your environment:
>>>>> activate my-rdkit-env
>>>>>
>>>>> See: http://conda.pydata.org/docs/using/envs.html#change-environm
>>>>> ents-activate-deactivate
>>>>>
>>>>> Best,
>>>>> Marta
>>>>>
>>>>>
>>>>> 2016-09-26 13:45 GMT+02:00 Gonzalo Colmenarejo <
>>>>> [email protected]>:
>>>>> > rdkit is not shown within the package list. However, if I run conda
>>>>> create
>>>>> > -c https://conda.anaconda.org/rdkit -n my-rdkit-env rdkit I get this
>>>>> > message:
>>>>> >
>>>>> > Error: prefix already exists: C:\Users\Dell\Anaconda\envs\my
>>>>> -rdkit-env
>>>>> >
>>>>> > Any idea on how this could be fixed?
>>>>> >
>>>>> > Thanks
>>>>> >
>>>>> > On Fri, Sep 23, 2016 at 9:06 PM, Greg Landrum <
>>>>> [email protected]>
>>>>> > wrote:
>>>>> >>
>>>>> >> I think anaconda is fine, but it looks like either the RDKit isn't
>>>>> >> installed correctly or you aren't running the anaconda Python.
>>>>> >>
>>>>> >> Please check that the python you are running is the one from
>>>>> anaconda and
>>>>> >> that the RDKit is installed (that last one is "conda list")
>>>>> >>
>>>>> >>
>>>>> >>
>>>>> >>
>>>>> >>
>>>>> >>
>>>>> >> On Fri, Sep 23, 2016 at 8:31 PM +0200, "Gonzalo Colmenarejo"
>>>>> >> <[email protected]> wrote:
>>>>> >>
>>>>> >>> Hi Greg,
>>>>> >>>
>>>>> >>> It shows:
>>>>> >>>
>>>>> >>> ImportError: No module named rdkit
>>>>> >>>
>>>>> >>> Should I reinstall anaconda?
>>>>> >>>
>>>>> >>> Thanks
>>>>> >>>
>>>>> >>> Gonzalo
>>>>> >>>
>>>>> >>> On Fri, Sep 23, 2016 at 2:54 PM, Greg Landrum <
>>>>> [email protected]>
>>>>> >>> wrote:
>>>>> >>>>
>>>>> >>>> Hi Gonzalo,
>>>>> >>>>
>>>>> >>>> Are you sure that the jupyter you are running is the same one
>>>>> that came
>>>>> >>>> with your conda installation?
>>>>> >>>> Can you do, from the command line:
>>>>> >>>> python -c "from rdkit import Chem"
>>>>> >>>>
>>>>> >>>> On Fri, Sep 23, 2016 at 10:49 AM, Gonzalo Colmenarejo
>>>>> >>>> <[email protected]> wrote:
>>>>> >>>>>
>>>>> >>>>> Hi,
>>>>> >>>>> I had a previous release of RDKit (2015_03_1) in my Windows 8 PC
>>>>> >>>>> installed in the old fashioned mode and it worked OK. I renamed
>>>>> the
>>>>> >>>>> corresponding folder and installed the latest version of RDKit
>>>>> through
>>>>> >>>>> conda. Now I get the following error message when trying to run
>>>>> my previous
>>>>> >>>>> code in Jupyter: ImportError: No module named rdkit
>>>>> >>>>>
>>>>> >>>>> Any advice on how to fix this would be appreciated.
>>>>> >>>>>
>>>>> >>>>> Thanks a lot
>>>>> >>>>>
>>>>> >>>>> Gonzalo
>>>>> >>>>>
>>>>> >>>>>
>>>>> >>>>> ------------------------------------------------------------
>>>>> ------------------
>>>>> >>>>>
>>>>> >>>>> _______________________________________________
>>>>> >>>>> Rdkit-discuss mailing list
>>>>> >>>>> [email protected]
>>>>> >>>>> https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
>>>>> >>>>>
>>>>> >>>>
>>>>> >>>
>>>>> >
>>>>> >
>>>>> > ------------------------------------------------------------
>>>>> ------------------
>>>>> >
>>>>> > _______________________________________________
>>>>> > Rdkit-discuss mailing list
>>>>> > [email protected]
>>>>> > https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
>>>>> >
>>>>>
>>>>
>>>>
>>>> ------------------------------------------------------------
>>>> ------------------
>>>>
>>>> _______________________________________________
>>>> Rdkit-discuss mailing list
>>>> [email protected]
>>>> https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
>>>>
>>>>
>>>
>>
>> ------------------------------------------------------------
>> ------------------
>>
>> _______________________________________________
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>> https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
>>
>>
>
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