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



relax (http://www.nmr-relax.com)

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