HI Jubilant,
The development version has rewritten handling of aromaticity, and as this
will be the next release, I will focus on this. The following talk gives an
overview of the process:
https://baoilleach.blogspot.co.uk/2017/08/my-acs-talk-on-kekulization-and.html
Your question didn't mention what conversion you are doing. When reading
aromatic SMILES, we attempt to kekulize the aromatic bonds provided. If
this is not possible, we don't fix it (which is not possible in the general
case) - but instead produce a warning.
When writing aromatic SMILES, we perceive aromaticity by default using the
Daylight model described in the talk (to be exact, it's an extension of
Daylight). If instead, you would like to use the aromaticity as present in
the input SMILES, you can specify "-aa" when reading.
Regards,
- Noel
On 1 December 2017 at 06:38, Sundar <jubilantsun...@gmail.com> wrote:
> Hi all,
>
> I was looking for a documentation for how openbabel works on detecting
> aromaticity and what is the flag to choose while converting molecules. Does
> obabel detect and fix aromaticity by default? If yes, what are the default
> options and what other options are available?
>
> Please, direct me to the documentation page.
>
> Thanks,
> Jubilant
>
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