Hi Alfredo,
I can suggest some alternate ways which might be helpful since you want to do a visual inspection primarily. 1. If not having the final output as a multi-page PDF is ok, you can use "mol2grid" library (https://mols2grid.readthedocs.io/en/latest/contents.html). There's an option to save the output as a HTML file. 2. A hack if you are using Jupyter notebook (and really want a PDF output) could be to download the notebook with output as a PDF. 3. DataWarrior is another open-source software if you want to explore something outside Python (https://openmolecules.org/datawarrior/) to inspect molecules. Cheers! Aishvarya ________________________________ From: Alfredo Quevedo <maquevedo....@gmail.com> Sent: Thursday, October 6, 2022 3:10:20 AM To: RDKit Discuss Subject: [Rdkit-discuss] Generating a pdf file with a grid of molecules 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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