Dear Carolin,
There is something. Go to M:Peak:Draw Parameters and check 'Chain
Assignment' to 'on'. Then click [Update Full Annotations].
That should make chain codes show up everywhere.
Yours,
Rasmus
---------------------------------------------------------------------------
Dr. Rasmus H. Fogh Email: [log in to unmask]
Dept. of Biochemistry, University of Cambridge,
80 Tennis Court Road, Cambridge CB2 1GA, UK. FAX (01223)766002
On Wed, 18 Apr 2012, Seuring Carolin wrote:
> Hi,
>
> Thank you! I am using Cyana for structure calculations. Therefore I need to use the Format Converter > Export : Cyana > Xeasy Export Shifts... and here perfectly I can export the chains separately.
>
> As one input for the future program : It would be great if one would have in Peak: Peak Lists an additional column that displays the chain or the conformer. When I assign the additional peaks coming from the 2nd conformers now, Assignment : Assignment Panel gives me 2 suggestions of slightly different shift. That's fine but it would be great to see which shift belongs to which chain or conformer.
> Or is there anything like that already available now?
> Thanks a lot!
>
> Carolin
>
>
>
> On Apr 18, 2012, at 5:34 PM, Wayne Boucher wrote:
>
>> Hello,
>>
>> I'm not sure we quite understand the question, but Tim says that you should choose whichever chain whose conformation you want to use in the structure calculation. (I guess in theory you could try to study both conformations in one structure calculation but Tim says that nobody does that.) And you might need to copy assignments over from one of the chains to the other one.
>>
>> Wayne
>>
>> On Wed, 18 Apr 2012, Seuring Carolin wrote:
>>
>>> Hi, cool that works!
>>> The new peak is then written in the same peak list (what I want).
>>> But for structure calculation, I would like to have only 1 assignment set. Is there a simple way to separate the assignment of the chains/conformers?
>>> - Carolin
>>>
>>>
>>>
>>> On Apr 18, 2012, at 3:29 PM, Wayne Boucher wrote:
>>>
>>>> Actually, no need to duplicate the molecule (template) just the chain.
>>>>
>>>> Wayne
>>>>
>>>> On Wed, 18 Apr 2012, Wayne Boucher wrote:
>>>>
>>>>> Hello,
>>>>>
>>>>> That has been on the TODO list for awhile but it's not yet implemented. Tim says the best way to work around this currently is to duplicate the molecule and chain.
>>>>>
>>>>> Wayne
>>>>>
>>>>> On Wed, 18 Apr 2012, Seuring Carolin wrote:
>>>>>
>>>>>> Hi,
>>>>>> Maybe it is obvious, but I don't find a solution of how I can assign the atoms of 1 residue, e.g. PHE or TYR, twice.
>>>>>> I can see peak doubling for the atoms and therefore would like to have 2 assignments for the 2 conformations.
>>>>>> Thank you for your help!
>>>>>> - Carolin
>>>>>> ------------------------------------------------------------
>>>>>> Carolin Seuring
>>>>>> ETH | Zurich | www.bionmr.ethz.ch
>>>>>> Phone: +41 44 6337646
>>>>>> E-mail: [log in to unmask]
>>>>>
>>>
>
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