Hi Angelo, Welcome to the relax mailing lists! The problem you are seeing is a clear bug. Would you be able to submit a bug report using the link https://gna.org/bugs/?func=additem&group=relax ? Thanks. Although bug #12408 (https://gna.org/bugs/?12408) appears to be similar, this is only because both cases use the special RelaxNoTensorError error object. For the bug report, would you be able to include the output of:
$ relax --info Also if you could look at the logs and say which global diffusion model was selected, that would be useful. And have you used a 3D structure file for the analysis? Note that this failure has occurred at the very end of the analysis. The call to the structure.create_diff_tensor_pdb user function is the very last thing that this model-free auto-analysis does (you can see that here if you are interested, http://www.nmr-relax.com/api/auto_analyses.dauvergne_protocol-pysrc.html#dAuvergne_protocol.execute). Therefore this error is not too important for your analysis. It would be good to have the bug report though so that I can come up with a solution. Cheers, Edward On 13 March 2013 13:43, Angelo Miguel Figueiredo <am.figueir...@fct.unl.pt> wrote: > Dear relax community, > > I am a new user that recently installed relax 2.2.2. After been playing > around with it I spot in the late stage of my final calculation the > following message in attach. > > Does anybody has a clue or advice what could be wrong with it. I spot a > similar error in earlier relax versions (bug #12408) but I am not sure if it > is the same issue, apparently relax can't read/load my diffusion tensor. > > Any help will be appreciated. > > Many thanks, > Angelo > > > > relax> structure.create_diff_tensor_pdb(scale=1.8e-06, file='tensor.pdb', > dir='/home/final', force=True) > Exception raised in thread. > > Traceback (most recent call last): > File "/home/angelo/Software/relax-2.2.2/gui/analyses/execute.py", line 87, > in run > self.run_analysis() > File "/home/angelo/Software/relax-2.2.2/gui/analyses/auto_model_free.py", > line 808, in run_analysis > dauvergne_protocol.dAuvergne_protocol(pipe_name=self.data.pipe_name, > pipe_bundle=self.data.pipe_bundle, results_dir=self.data.save_dir, > diff_model=self.data.global_models, mf_models=self.data.mf_models, > local_tm_models=self.data.local_tm_models, grid_inc=self.data.inc, > diff_tensor_grid_inc=self.data.diff_tensor_grid_inc, > mc_sim_num=self.data.mc_sim_num, max_iter=self.data.max_iter, > conv_loop=self.data.conv_loop) > File > "/home/angelo/Software/relax-2.2.2/auto_analyses/dauvergne_protocol.py", > line 234, in __init__ > self.execute() > File > "/home/angelo/Software/relax-2.2.2/auto_analyses/dauvergne_protocol.py", > line 745, in execute > self.write_results() > File > "/home/angelo/Software/relax-2.2.2/auto_analyses/dauvergne_protocol.py", > line 937, in write_results > self.interpreter.structure.create_diff_tensor_pdb(file="tensor.pdb", > dir=dir, force=True) > File "/home/angelo/Software/relax-2.2.2/prompt/uf_objects.py", line 219, in > __call__ > self._backend(*new_args, **uf_kargs) > File "/home/angelo/Software/relax-2.2.2/generic_fns/structure/geometric.py", > line 449, in create_diff_tensor_pdb > raise RelaxNoTensorError('diffusion') > RelaxNoTensorError: RelaxError: No diffusion tensor data exists. > > _______________________________________________ > relax (http://www.nmr-relax.com) > > This is the relax-users mailing list > relax-users@gna.org > > 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 > _______________________________________________ relax (http://www.nmr-relax.com) This is the relax-users mailing list relax-users@gna.org 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
