Hi,
On Fri, Aug 26, 2022 at 10:31 AM Dr. Anselm Horn via AMBER
<amber.ambermd.org> wrote:
>
> Could you also comment briefly to my original question, i.e. is there
> something like an automatic linkage detection for sugars already
> implemented in leap and if so, what's its logic?
Not that I'm aware of - in fact, this was one of the motivations
behind the development of 'prepareforleap'. LEaP is great for
polymers, not so much for branched stuff.
-Dan
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Received on Fri Aug 26 2022 - 08:00:06 PDT
