Hi Martin,
Have you thought of importing a different chain for conformation A,
conformation B etc. Then you can assign a peak to a specific resonance
in a specific chain. The only issue may be that everything appears in
one peak lists but labelled by chain.
Hope this helps
Simon
On Aug 8, 2013, at 11:49 AM, Martin Ballaschk wrote:
> Dear all,
>
> is there a convenient way of assigning multiple peaks to one
> resonance, e.g. when there are multiple signals due to multiple
> conformations? Is there also a way to give them individually
> assigned name like "N,H – His 115 – conformation A"?
>
> IIRC, Analysis attempts to average all peaks of one resonance into a
> single value. Working with peak lists instead of resonance lists,
> there are multiple indistiguishable rows, which makes post-
> processing cumbersome (because one has to modify every file by hand).
>
> Did I overlook anything?
>
>
> Regards,
> Martin
>
> --
> Martin Ballaschk
> AG Schmieder
> Leibniz-Institut für Molekulare Pharmakologie
> Robert-Rössle-Str. 10
> 13125 Berlin
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