URL:
<http://gna.org/bugs/?20531>
Summary: Fully automated model free calculations finish with
the error "RelaxFault: RelaxError: Impossible to be here"
Project: relax
Submitted by: None
Submitted on: Tue Feb 19 16:13:40 2013
Category: None
Severity: 3 - Normal
Priority: 5 - Normal
Status: None
Privacy: Public
Assigned to: None
Originator Name: James Tolchard
Originator Email: [email protected]
Open/Closed: Open
Discussion Lock: Any
Release: 2.2.2
Operating System: GNU/Linux
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Details:
Using the method below for setting up a fully automated model free calculation
in the relax 2.2.2 gui, the following error is given, although plausible model
free parameters are determined:
debug> Observer: 'auto_analyses' notifying the 'controller' method
update_controller().
debug> Execution lock: Release by 'mf (Fri Feb 15 12:07:59 2013)'
('auto-analysis' mode).
debug> Observer: 'exec_lock' notifying the 'controller' method
update_gauge().
debug> Observer: 'exec_lock' notifying the 'gui' method enab().
debug> Observer: 'exec_lock' notifying the 'mf (Fri Feb 15 12:07:59 2013)'
method activate().
Exception raised in thread.
Traceback (most recent call last):
File "/SOFTWARE/relax/relax-2.2.2/gui/analyses/execute.py", line 87, in run
self.run_analysis()
File "/SOFTWARE/relax/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 "/SOFTWARE/relax/relax-2.2.2/auto_analyses/dauvergne_protocol.py",
line 234, in __init__
self.execute()
File "/SOFTWARE/relax/relax-2.2.2/auto_analyses/dauvergne_protocol.py",
line 745, in execute
self.write_results()
File "/SOFTWARE/relax/relax-2.2.2/auto_analyses/dauvergne_protocol.py",
line 911, in write_results
self.interpreter.pymol.macro_write(data_type='amp_fast', dir=dir,
force=True)
File "/SOFTWARE/relax/relax-2.2.2/prompt/uf_objects.py", line 219, in
__call__
self._backend(*new_args, **uf_kargs)
File "/SOFTWARE/relax/relax-2.2.2/generic_fns/pymol_control.py", line 504,
in macro_write
commands = create_macro(data_type=data_type, style=style,
colour_start=colour_start, colour_end=colour_end, colour_list=colour_list)
File "/SOFTWARE/relax/relax-2.2.2/generic_fns/pymol_control.py", line 358,
in create_macro
commands = macro(data_type, style, colour_start, colour_end,
colour_list)
File "/SOFTWARE/relax/relax-2.2.2/specific_fns/model_free/macro_base.py",
line 499, in create_macro
self.classic_style(data_type, colour_start, colour_end, colour_list,
spin_id)
File "/SOFTWARE/relax/relax-2.2.2/specific_fns/model_free/macro_base.py",
line 179, in classic_style
raise RelaxFault
Storing the relax state in the file 'relax_state_20130216_160517.bz2'.
debug> Observer: 'gui_uf' registering the 'results viewer' method refresh().
debug> Observer: 'pipe_alteration' registering the 'results viewer' method
refresh().
debug> Observer: 'result_file' registering the 'results viewer' method
refresh().
debug> Observer: 'exec_lock' registering the 'results viewer' method
activate().
debug> Lock 'pipe_lock': Acquisition by 'results viewer window'.
debug> Lock 'pipe_lock': Release by 'results viewer window'.
RelaxFault: RelaxError: Impossible to be here, please re-run relax with the
'--debug' flag and summit a bug report at
Relax method.
1 - Start relax (./relax -g)
2 - Choose "New analysis", select Model-free analysis"
3 - Open the "Spin editor" and choose "From a new PDB structure"
4 - Select the PDB file (comprised of a single structural model) with "@H,N"
spins, named, all other sections are left unset.
5 - Add R1, R2 and hNOE data sets at two magnetic fields (499685350 Hz and
800233758 Hz). All data sets calculated with relax. Set ID string, relax type,
frequency and file name. All sets based on peak heights, with methanol
calibration and single scan interleaving.
6 - Define the H isotope. Leave default values as 1H.
7 - Define the X isotope. Leave default values as 15N.
8 - Define CSA relaxation. Leave default values.
9 - Define Dipolar relaxation. Leave default values.
10 - "Execute relax"
Attached is the output from ./relax --info
_______________________________________________________
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<http://gna.org/bugs/?20531>
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