Re: [Open Babel] Smiles

[Noel O'B. <bao...@gm...>]

Hi Markus,

Only possible with the development version (available as snap for example).
"-Hsmi" gives the output options, of which one is 'k':

$ obabel -:c1ccccc1 -osmi -xk
C1C=CC=CC=1

- Noel

On Mon, 19 Aug 2019 at 14:36, Markus Grimm via OpenBabel-discuss <
ope...@li...> wrote:

> Hey guys,
>
> can someone tell me how I convert standard smiles into kekule form smiles?
>
> Right now I'm using obabel to generate smiles from mol files:
>
> obabel -imol E_1.mol -osmi -OE_1.smi
>
>
> Thanks in advance!
> - Markus
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