Hi, You could probably use something like Open Babel (https://openbabel.org/wiki/Main_Page) to do the conversion.
Kind regards, gyro On 7/27/2021 11:02 AM, Francesca Magarotto - [email protected] wrote: > 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. > > > _______________________________________________ > Rdkit-discuss mailing list > [email protected] > https://lists.sourceforge.net/lists/listinfo/rdkit-discuss > _______________________________________________ Rdkit-discuss mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
