It was on Github. Here you go:

Are you sure you don't just want the canonical labels? I'm happy to

On 17 May 2018 at 11:47, Geoffrey Hutchison <>

> Hi Noel,
> I'm working with Naruki, the student with GSoC developing the
> fragment-based coordinate generation.
> He's updating my old fragmentation code, which used the SMILES Atom Order
> data to canonicalize fragments. I can't find your comments on this, and I
> don't remember whether it was in the GitHub tracker or Open Babel
> development list.
> Thanks,
> -Geoff
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