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- > environments-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 > > >
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