Up to know the way we've dealt with such situations is to have two chains
in the same MolSystem representing the different confomers - for
convenience you can change the starting number of the sequence for one of
them by some large number (+1000) during assignment so that the peak
labels are easy to distinguish.
On Mon, 29 Mar 2010, Wayne Boucher wrote:
> Hello,
>
> Tim says that dealing with different conformers is on the TODO list but for
> now he recommends using two different molSystems rather than (say) two
> different experiments. If by "sister" peak list you mean belonging to the
> same spectrum and hence the same experiment then they would have the same
> shift list, since a given experiment is associated with only one shift list.
> But maybe you do not mean that by "sister". Anyway, you can use the
> Assignment --> Copy Assignments dialog to copy assignments over, or also
> right-mouse-click on a window with Assign --> Propagate assignments. Is that
> what you meant?
>
> Wayne
>
> On Mon, 29 Mar 2010, James Tolchard wrote:
>
>> Hi all,
>>
>> I'm currently trying to analyse a project comprising multiple 2D and 3D
>> experiments where there are 2 conformers present and which (on the whole)
>> have distinguishable peaks. I have been trying to sort the peaks into
>> "major" and "minor" groups so that I can manipulate the displays and
>> facilitate the assignments when I've peak picked throughout all my
>> spectra, however this is proving difficult.
>>
>> I have tried to do this by creating sister peak lists for each experiment
>> and by creating separate shift lists but I can't seem make the peak
>> picking and the assigning of peaks to a group/list a smooth process. Is
>> there an easy way to do this? Also, is it possible to assign a peak to a
>> shift/sister list after it has been assigned to one already?
>>
>>
>> Thanks,
>>
>> James
>>
>
>
--
Dr. Brian O. Smith ---------------------- B Smith at bio gla ac uk
Division of Molecular & Cellular Biology,
Faculty of Biomedical & Life Sciences,
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