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I need to convert a bunch of Smiles into mold2 using this GUI tools (https://www.fda.gov/files/science%20&%20research/published/Mold2-Tutorial.pdf)

How do I convert pandas data frame into either .mol or .sdf file?

Petr
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    Did you try `PandasTools.WriteSDF()` in RDKit? – rapelpy Aug 16 '22 at 20:24
  • I did but then it is not working in the Mold2 GUI software. The main goal is to convert smiles to mold2 – Petr Aug 17 '22 at 09:27
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    Did you figure this out yet? The [rdkit tag at MMSE](https://mattermodeling.stackexchange.com/questions/tagged/rdkit) has 95.5% of its questions answered. If you want this question migrated there, please ping me by typing @Nike in a comment and letting me know. I'll make a case to the moderators for a migration. – Nike Mar 10 '23 at 20:17
  • @Nike, yes please – Petr Aug 17 '23 at 06:31
  • @Petr questions can only be migrated within 60 days. The only thing you can do now is to ask the question at MMSE in a new (separate) post and provide a link to this question there. – Nike Aug 30 '23 at 14:40

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