Dear Grégori,
when storing the image into a new data frame:
"
MMP_reaction = Chem.rdChemReactions.ReactionFromSmarts("[*:1][H]>>[*:1]C")
newnew_df = pd.DataFrame(columns=['fig'],index=[1] )
newnew_df['fig'].ix[1] = Draw.ReactionToImage(MMP_reaction)
"
apparently, the image can be stored in a data frame, but in the ipython
notebook it is displayed as "<PIL image...."
Cheers & Thanks so far (in particular for the impressive speed in
response!),
Paul
> Hi Paul,
>
> You first have to read the MMP into a reaction object
> (Chem.ReactionFromSmarts).
>
> Greg
>
> On Friday, May 9, 2014, <[email protected]> wrote:
> Dear Gregori & Samo,
>
> thanks for your hints.
>
> I just tried running
>
> Draw.ReactionToImage("[*:1][H]>>[*:1]C")
>
> =>
>
> AttributeError: 'str' object has no attribute 'GetNumReactantTemplates'
>
>
>
> BTW, how would I finally add a picture to a Pandas data frame?
>
>
> Cheers,
> Paul
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