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 <[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
