On 21 February 2017 at 05:40, Ashish Sethi <ashish.se...@unimelb.edu.au> wrote:
> Dear Edward,
>
>
> Hope this email finds you well !!!
>
>
>
> I am a beginner in the field of protein dynamics and I wish to do a model
> free analysis for my protein which is about 72 residues (8.5 kDa). I have
> calculated the standard R1, R2 and NOE (steady state) parameters and also did
> the reduced spectral density mapping.
>
>
> My question is related to dipolar relaxation settings while setting up the
> model free analysis, so all my files (R1, R2 and NOE) only have 15N spin
> information and if I follow the instructions given in the manual and select
> "@N" and "@H"-- i get an error saying no information available for H spin
> which is obvious. In this case what am I supposed to select ? Apologies for
> my naivety.
Hi Ashish,
Welcome to the relax mailing lists! Note for a model-free analysis
that for over 2 decades now it is expected that you collect data at 2
or more field strengths. I suggest you have a read of the following
reference to understand why a model-free analysis fails - i.e. you end
up with artificial Rex and nanosecond motions:
d'Auvergne E. J., Gooley P. R. (2007). Set theory formulation of
the model-free problem and the diffusion seeded model-free paradigm.
Mol. Biosyst., 3(7), 483-494. (http://dx.doi.org/10.1039/b702202f).
As for the error, this should actually be a RelaxWarning saying that
the H spins are deselected as there is no relaxation data. If you
have a RelaxError, or any other Python Error, could you copy and paste
that error message? Otherwise, the RelaxWarning is what you should
expect.
Regards,
Edward
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