Hello,
I am trying to out a .pdf file containing a grid of molecules with the
corresponding labels below. For that, I am following these steps:
1- Prepare a dataframe reading a csv file containing the smiles and
molecule names,
2- use /PandasTools.AddMoleculeColumnToFrame(df,smilesCol='smiles')/ to
obtain the df containin a column with the molecules,
3- I can see the molecules in the notebook using:
/PandasTools.FrameToGridImage(df,legendsCol='name', molsPerRow=3)/
However I would like to output all the molecules to a multipage .pdf
file for visual inspection.
Any hint on how I can produce that file is greatly appreciated,
kind regards
Alfredo
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