Actually, I think that this particular is most easily solved as Chris has
suggested, using regular ring closure digits. The deferred ring closures
(&) are currently not accepted by OB, and I guess aren't really needed in
any case. We should get them working though. They are a feature of SMILES
that
Thanks for the clarification.
On 02/01/2018 12:43 AM, Noel O'Boyle wrote:
Actually, I think that this particular is most easily solved as Chris has suggested, using
regular ring closure digits. The deferred ring closures (&) are currently not accepted by
OB, and I guess aren't really needed in
Dear all,
I see that when I convert the attached file from sdf to pdb or pdbqt,
Obabel guesses a few atoms as ALA (could be an amino acid Alanine) and
changes its atom name to ALA.
Does anyone know any possible cause and how to avoid this?
I am posting this again as I didn't get an answer for this
