EdwardCheers,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?
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.
XiOn 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 HuangPhD Candidate, Division of Physical ChemistryGail E. Fanucci Research GroupDepartment of ChemistryUniversity of Florida--Xi HuangPhD Candidate, Division of Physical ChemistryGail E. Fanucci Research GroupDepartment of ChemistryUniversity of Florida