Could you maybe just import the ase module and use their file converter functionality?
On Fri, Jun 4, 2021 at 6:55 PM Storer, Joey (J) <jwsto...@dow.com> wrote: > *Message sent from a system outside of UConn.* > > Dear all, > > > > For molecular modeling workflows and interoperability with QM/MM etc., > > > > Can RDKit gain a Chem.XyzToMol(xyz) functionality? > > > > Thanks for considering this. > > > > Joey Storer > > Dow, Inc. > > General Business > _______________________________________________ > Rdkit-discuss mailing list > Rdkit-discuss@lists.sourceforge.net > https://lists.sourceforge.net/lists/listinfo/rdkit-discuss > -- Svetlana Gelpí-Domínguez Graduate Assistant - Gascón Lab http://gascon.chem.uconn.edu/ University of Connecticut
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