Model-free analysis error -- February 07, 2014 - 15:45

Hi,

This is the first time I use NMR relax for model-free analysis (so apologise 
in advance if the answer to my question is trivial). I am using relax 3.1.5 
on Windows 8.

Basically I have some R1, R2 and NOE data (that I have fitted elsewhere) and 
a pdb file. Using the spin editor I have loaded N, C, H from the pdb file.

I have also added three relaxation data lists for my R1, R2 and NOE data. 
The relaxation data were saved as .txt files. The format of the data is as 
follows "residue no., residue type, R1/R2/NOE, spin type":

2 ALA 5.49631746729691 N
3 ASP 3.74279511939516 N
4 ASP 6.12594952217594 N
6 SER 6.75812664729337 N

I then press execute. The programme successfully read the sequence and my 
R1/R2/NOE data. However, then I receive the following error message

Traceback (most recent call last):
  File "C:\Users\ivanhoe.leung\Desktop\relax-
3.1.5\gui\analyses\auto_model_free.py", line 588, in execute
    data, missing = self.assemble_data()
  File "C:\Users\ivanhoe.leung\Desktop\relax-
3.1.5\gui\analyses\auto_model_free.py", line 416, in assemble_data
    if spin.isotope in ['15N', '13C'] and (not hasattr(spin, 'csa') or 
spin.csa == None):
AttributeError: 'SpinContainer' object has no attribute 'isotope' 

It would be appreciated if you can shed some light into my question - 
whether I missed some obvious steps or if my data format is not correct.

Thanks

Ivan Leung

MChem, DPhil (Oxf)
Postdoctoral research assistant
Department of Chemistry
University of Oxford