Re: Help needed for relax error -- July 09, 2013 - 09:58

Hi Xi,

That's great to hear.  Sorry for not responding earlier, I was on holidays in France last week.  How did you solve the problem in the end?  Did you rerun everything from scratch?  Or did you load each results file, set the isotope type for all spin systems, and save the modified results file?

Cheers,

Edward

On 8 July 2013 22:36, Xi Huang <huangxi987412@xxxxxxxxx> wrote:

Hi Edward,

Just let you know that I have fixed this problem and it's been working fine. Thanks.

Xi

On Tue, Jul 2, 2013 at 4:45 PM, Xi Huang <huangxi987412@xxxxxxxxx> wrote:

Hi Edward,

I have finished calculating all the manual modes except the final calculation using the newest version of relax. However, when I try to run the "final" to get the final results. It pops out the following error message. I have tried to reload the SpinContainer and reset csa value, the error message still exist. Could you help me figure out why? Thanks


Traceback (most recent call last):
  File "/usr/local/relax-2.2.5/gui/analyses/auto_model_free.py", line 587, in execute
    data, missing = self.assemble_data()
  File "/usr/local/relax-2.2.5/gui/analyses/auto_model_free.py", line 415, 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'

--

Xi Huang

PhD Candidate, Division of Physical Chemistry

Gail E. Fanucci Research Group

Department of Chemistry

University of Florida

 

--

Xi Huang

PhD Candidate, Division of Physical Chemistry

Gail E. Fanucci Research Group

Department of Chemistry

University of Florida