Hi Gianluca, This one turns out to be pretty easy: you just add the molecules as a column and then call: PandasTools.RenderImagesInAllDataFrames(images=True) Or, if you just want to change the rendering for a single DataFrame, you can call: PandasTools.ChangeMoleculeRendering(df)
Here's a gist demonstrating: https://gist.github.com/greglandrum/914ae66fd2f97addbbd472ae726567b1 -greg On Thu, Jul 25, 2019 at 4:45 PM Gianluca Sforna <[email protected]> wrote: > Hi all, > is it possible to manually add molecules to a pandas dataframe? I am > reading a bunch of mol2 files, adding some properties (including some > atom highlighting), then I'd like to add the resulting molecule to the > dataframe in order to show its depiction along with the data. > However, API docs and examples I found around always assume you have a > SMILES string to start with. > > Any pointers? > > -- > Gianluca Sforna > > > _______________________________________________ > Rdkit-discuss mailing list > [email protected] > https://lists.sourceforge.net/lists/listinfo/rdkit-discuss >
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