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 < colmenarejo.gonz...@gmail.com> 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 < > mart...@ibb.waw.pl> 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 < >> colmenarejo.gonz...@gmail.com>: >> > 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 <greg.land...@gmail.com> >> > 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" >> >> <colmenarejo.gonz...@gmail.com> 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 <greg.land...@gmail.com >> > >> >>> 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 >> >>>> <colmenarejo.gonz...@gmail.com> 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 >> >>>>> Rdkit-discuss@lists.sourceforge.net >> >>>>> https://lists.sourceforge.net/lists/listinfo/rdkit-discuss >> >>>>> >> >>>> >> >>> >> > >> > >> > ------------------------------------------------------------ >> ------------------ >> > >> > _______________________________________________ >> > Rdkit-discuss mailing list >> > Rdkit-discuss@lists.sourceforge.net >> > https://lists.sourceforge.net/lists/listinfo/rdkit-discuss >> > >> > > > ------------------------------------------------------------ > ------------------ > > _______________________________________________ > Rdkit-discuss mailing list > Rdkit-discuss@lists.sourceforge.net > https://lists.sourceforge.net/lists/listinfo/rdkit-discuss > >
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