[bug #20563] Relax failed while running final execution -- February 26, 2013 - 18:32

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

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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





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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>

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