Hi, Sorry, I didn't see you posted this message before I responded to your bug report. Please see my message at:
http://permalink.gmane.org/gmane.science.nmr.relax.user/1297 Regards, Edward On 17 September 2012 18:39, <[email protected]> wrote: > Dear Dr. Edward d'Auvergne, > > Thank you very much for answers. I have read the manual of relax and checked > the mf_multimodel.py. > > I have changed the mf_multimodel.py into a new version according to my data, > and have tried to run it in scripts mode in Relax. > > I started relax script mode by clicking the relax.py, and type > mf_multimodel, but Relax did not perform calculations, and a error window > came up: > > mf_multimodel.py > > Traceback (most recent call last): > File "<input>", line 1, in <module> > NameError: name 'mf_multimodel' is not defined > > Attached please find the new mf_multimodel.py > > I do not know how to start the calcultioin by mf_multimodel so that the part > of model free analysis can be performed. Perhaps something is wrong in the > new mf_multimodel.py. > > Also I I have submitted it as a bug report. > > Thank you very much. > > With best regards, > > Mengjun Xue > > > > > > > Quoting Edward d'Auvergne <[email protected]>: > >> Hi Mengjun, >> >> For your bug report at https://gna.org/bugs/?20173, I have changed the >> title. It would be better if you chose a title which allows other >> users looking at https://gna.org/bugs/index.php to instantly >> understand what and where the bug is. In this case, the bug is simply >> because the diffusion tensor has not been set up. I would suggest >> looking at the sample script >> sample_scripts/model_free/mf_multimodel.py to see how to perform part >> of a model-free analysis in the GUI without using the auto-analyses >> (note this is only a tiny part, please read the model-free chapter of >> the user manual for the explanation why this is only 1/3 of one >> iteration of up to 20 iterations). >> >> I have eliminated the bug by having relax throw a RelaxError saying >> that the diffusion tensor is not set up yet. >> >> Cheers, >> >> Edward > > _______________________________________________ relax (http://www.nmr-relax.com) This is the relax-users mailing list [email protected] To unsubscribe from this list, get a password reminder, or change your subscription options, visit the list information page at https://mail.gna.org/listinfo/relax-users
