URL:
<http://gna.org/bugs/?14941>
Summary: Final Run error message
Project: relax
Submitted by: None
Submitted on: Monday 12/14/2009 at 16:57 CET
Category: None
Severity: 3 - Normal
Priority: 5 - Normal
Status: None
Privacy: Public
Assigned to: None
Originator Name:
Originator Email: mikaela.stewart@xxxxxxxxx
Open/Closed: Open
Discussion Lock: Any
Release: 1.3.3
Operating System: GNU/Linux
_______________________________________________________
Details:
I originally reported this under support not realizing it was a bug. I am
running relax using the full_analysis.py script and after running all of the
models until they converged I tried to run "final" to pick the best model
and
do monte-carlo simulations and I get the following traceback...
relax> monte_carlo.setup(number=200)
relax> monte_carlo.create_data(method='back_calc')
Traceback (most recent call last):
File "/usr/local/bin/relax", line 418, in ?
Relax()
File "/usr/local/bin/relax", line 127, in __init__
self.interpreter.run(self.script_file)
File "/usr/local/relax-1.3.3/relax-1.3/prompt/interpreter.py", line 273, in
run
elif hasattr(self.relax, 'dummy_mode'):
File "/usr/local/relax-1.3.3/relax-1.3/prompt/interpreter.py", line 534, in
run_script
def runcode(self, code):
File "/usr/local/relax-1.3.3/relax-1.3/prompt/interpreter.py", line 430, in
interact_script
except KeyboardInterrupt:
File "full_analysis_test.py", line 668, in ?
Main(self.relax)
File "full_analysis_test.py", line 368, in __init__
monte_carlo.create_data()
File "/usr/local/relax-1.3.3/relax-1.3/prompt/monte_carlo.py", line 91, in
create_data
monte_carlo.create_data(method=method)
File "/usr/local/relax-1.3.3/relax-1.3/generic_fns/monte_carlo.py", line
76, in create_data
data = create_mc_data(data_index)
File "/usr/local/relax-1.3.3/relax-1.3/specific_fns/model_free/main.py",
line 508, in create_mc_data
valid_types = ['mf_orig', 'mf_ext', 'mf_ext2']
File
"/usr/local/relax-1.3.3/relax-1.3/specific_fns/model_free/mf_minimise.py",
line 61, in back_calc
value = self.minimise(min_algor='back_calc', min_options=(index,
ri_label, frq_label, frq))
File
"/usr/local/relax-1.3.3/relax-1.3/specific_fns/model_free/mf_minimise.py",
line 773, in minimise
if not spin.model:
AttributeError: 'SpinContainer' object has no attribute 'model'
I am attaching my results files for "local_tm/aic" and "sphere/opt" in that
order. I still get the error message if I run the script using only these
two files. Thank you very much for your help with this.
_______________________________________________________
File Attachments:
-------------------------------------------------------
Date: Monday 12/14/2009 at 16:57 CET Name: results.bz2 Size: 8kB By:
None
<http://gna.org/bugs/download.php?file_id=7499>
-------------------------------------------------------
Date: Monday 12/14/2009 at 16:57 CET Name: results.bz2 Size: 18kB By:
None
<http://gna.org/bugs/download.php?file_id=7500>
_______________________________________________________
Reply to this item at:
<http://gna.org/bugs/?14941>
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