Hi Staffan,
some years ago we looked at exactly this with AZ (Lars) and Gilleain
(EBI)... I need to look up that code...
Egon
On Fri, Jul 21, 2017 at 10:39 AM, Staffan Arvidsson <
staffan.arvids...@gmail.com> wrote:
> Hi all,
>
> I wonder if there is any way of producing atom signatures with
> stereoinformation? Currently we're using
>
> String signature = new AtomSignature(atom, height,
> molecule).toCanonicalString();
>
> to produce the signatures.
>
>
> Best,
> Staffan
>
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--
E.L. Willighagen
Department of Bioinformatics - BiGCaT
Maastricht University (http://www.bigcat.unimaas.nl/)
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