Fair enough. Thanks for the info.
I really find it amazing how so much software is integrated into
Analysis, really makes the workflow smooth.
David.
On 14/07/2013 4:15 PM, Wayne Boucher wrote:
> Hello,
>
> I asked Tim and he says it's not a bug but a limitation in the
> implementation (lack of time, for one thing). It could probably be
> added but Tim is not sure how much effort that would require off the
> top of his head.
>
> Wayne
>
> On Fri, 12 Jul 2013, David Langelaan wrote:
>
>> Hello,
>>
>> I think that I have stumbled upon a bug in the RPF module. A few
>> details:
>>
>> I have a preliminary structure calculated of my protein with a bound
>> peptide ligand. When I was collecting the data, only one of the
>> components would be isotope labelled, thereby limiting the assignment
>> possibilities. I used the isotopes setting in analysis to set this
>> appropriately so that my assignment possibilities were correct.
>>
>> Anyways, the RPF module does not seem to take this into account. So
>> when it is calculating missing peaks it expects to see protein
>> intramolecular peaks in NOESY spectra where only the peptide ligand
>> is labelled.
>>
>> I think this is a bug, but maybe I am missing something with the
>> setup as well?
>>
>> Thanks,
>>
>> David
>>
>
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