Hi,
after a cluster analysis using a dataset of compounds from ZINC15 (in smiles 
format) I have picked a subset for virtual screening.
However, I have a problem.
The program Dock6 reads only TRIPOS mol2 format: is it possible to convert the 
molecules I chose for virtual screening with RDKit?
In ZINC15 the molecules are also provided in mol2 format, but in this case I 
download all of them and not only the ones I selected after cluster analysis.
I don't know what to do.
Thanks,
regards.
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  • [Rdkit-discuss]... Francesca Magarotto - francesca.magarot...@studio.unibo.it
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      • Re: [R... Francesca Magarotto - francesca.magarot...@studio.unibo.it
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