Hi Simon,
thank you, this might be a good idea. I didn't think of that before. I'll try it out, but suspect it'll be a bit of a mess with a heterotrimeric assembly, and assignments of four different of them flying around in the projects.
I was hoping for an already-implemented, „official“ solution, maybe one of the developers can also chime in and make a guess on how to solve this particular problem?
Cheers and thank you again
Martin
On 08.08.2013, at 12:16, Simon Skinner <[log in to unmask]> wrote:
> 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
--
Martin Ballaschk
AG Schmieder
Leibniz-Institut für Molekulare Pharmakologie
Robert-Rössle-Str. 10
13125 Berlin
[log in to unmask]
Tel.: +49-30-94793-234/315
Büro: A 1.26
Labor: C 1.10
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