Hi Stacy, This is taking quite a while to reproduce the bug. Would it be possible that you attach a relax save file which is saved prior to executing the final step of the protocol? One other thing, did you label your relaxation data sets as '1', '2', '3', and '4'? I'm trying to work out why there is a relaxation ID called '4'.
Cheers, Edward On 26 February 2013 18:32, Stanislava Panova <[email protected]> wrote: > URL: > <http://gna.org/bugs/?20563> > > Summary: Relax failed while running final execution > Project: relax > Submitted by: stacy > Submitted on: Tue 26 Feb 2013 05:32:16 PM GMT > Category: GUI > Severity: 5 - Blocker > Priority: 5 - Normal > Status: None > Privacy: Public > Assigned to: None > Originator Name: > Originator Email: > Open/Closed: Open > Discussion Lock: Any > Release: 2.2.2 > Operating System: GNU/Linux > > _______________________________________________________ > > Details: > > Relax failed while running final execution after running local_tm and sphere > mode successfully. > > Exception raised in thread. > > Traceback (most recent call last): > File "/usr/local/relax-2.2.2/gui/analyses/execute.py", line 87, in run > self.run_analysis() > File "/usr/local/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 "/usr/local/relax-2.2.2/auto_analyses/dauvergne_protocol.py", line 234, > in __init__ > self.execute() > File "/usr/local/relax-2.2.2/auto_analyses/dauvergne_protocol.py", line 734, > in execute > self.interpreter.monte_carlo.create_data() > File "/usr/local/relax-2.2.2/prompt/uf_objects.py", line 219, in __call__ > self._backend(*new_args, **uf_kargs) > File "/usr/local/relax-2.2.2/generic_fns/monte_carlo.py", line 76, in > create_data > error = return_error(data_index) > File "/usr/local/relax-2.2.2/specific_fns/api_common.py", line 260, in > _return_error_relax_data > error.append(spin.ri_data_err[ri_id]) > KeyError: '4' > > PS I have tried to analyze relaxation data and it failed. Main steps: > 1)load sequence from NOE data file > 2)check spin.name, spin.element, spin.isotope > 3)load relaxation data: 4 files (R1, R2, NOE for 800 MHz and R2 for 600MHz) > 3)sequence.attach_protons() > 4)dipolar relaxation (as I don't have pdb file, I have skipped first part and > applyed only magnetic dipolar relaxation setup) > 5)csa relaxation > 6)protocol model local tm > 7) execute relax > 8)protocol sphere > 9)execute relax > 10)protocol final > 11)execute relax > > > > > > _______________________________________________________ > > File Attachments: > > > ------------------------------------------------------- > Date: Tue 26 Feb 2013 05:32:16 PM GMT Name: R2604 Size: 2kB By: stacy > > <http://gna.org/bugs/download.php?file_id=17348> > ------------------------------------------------------- > Date: Tue 26 Feb 2013 05:32:16 PM GMT Name: R1850 Size: 2kB By: stacy > > <http://gna.org/bugs/download.php?file_id=17349> > ------------------------------------------------------- > Date: Tue 26 Feb 2013 05:32:16 PM GMT Name: R2863 Size: 2kB By: stacy > > <http://gna.org/bugs/download.php?file_id=17350> > ------------------------------------------------------- > Date: Tue 26 Feb 2013 05:32:16 PM GMT Name: NoeRelN Size: 2kB By: stacy > > <http://gna.org/bugs/download.php?file_id=17351> > > _______________________________________________________ > > Reply to this item at: > > <http://gna.org/bugs/?20563> > > _______________________________________________ > Message sent via/by Gna! > http://gna.org/ > > > _______________________________________________ > relax (http://www.nmr-relax.com) > > This is the relax-devel 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-devel _______________________________________________ relax (http://www.nmr-relax.com) This is the relax-devel 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-devel
