[bug #12410] Problem with the final stage of full_analysis.py: Monte Carlo simulations and missing sequence. -- October 05, 2008 - 15:03

URL:
  <http://gna.org/bugs/?12410>

                 Summary: Problem with the final stage of full_analysis.py: 
Monte Carlo simulations and missing sequence.
                 Project: relax
            Submitted by: bugman
            Submitted on: Sunday 10/05/2008 at 13:03
                Category: relax's source code
                Severity: 4 - Important
                Priority: 7 - High
                  Status: None
                 Privacy: Public
             Assigned to: bugman
         Originator Name: 
        Originator Email: 
             Open/Closed: Open
         Discussion Lock: Any
                 Release: 1.3.1
        Operating System: All systems

    _______________________________________________________

Details:

The last stage of full_analysis.py now gives this error message:

relax> pipe.create(pipe_name='local_tm', pipe_type='mf')

relax> results.read(file='results', dir='local_tm/aic')
Opening the file 'local_tm/aic/results.bz2' for reading.

relax> pipe.create(pipe_name='sphere', pipe_type='mf')

relax> results.read(file='results', dir='sphere/round_11/opt')
Opening the file 'sphere/round_11/opt/results.bz2' for reading.

relax> pipe.create(pipe_name='prolate', pipe_type='mf')

relax> results.read(file='results', dir='prolate/round_6/opt')
Opening the file 'prolate/round_6/opt/results.bz2' for reading.

relax> pipe.create(pipe_name='oblate', pipe_type='mf')

relax> results.read(file='results', dir='oblate/round_13/opt')
Opening the file 'oblate/round_13/opt/results.bz2' for reading.

relax> pipe.create(pipe_name='ellipsoid', pipe_type='mf')

relax> results.read(file='results', dir='ellipsoid/round_8/opt')
Opening the file 'ellipsoid/round_8/opt/results.bz2' for reading.

relax> model_selection(method='AIC', modsel_pipe='final', pipes=['local_tm',
'sphere', 'prolate', 'oblate', 'ellipsoid'])
AIC model selection.

Model index 0.

Data pipe            Num_params_(k)       Num_data_sets_(n)    Chi2          
      Criterion
local_tm             378                  810                  195.07318     
      951.07318
sphere               305                  810                  269.72229     
      879.72229
prolate              294                  810                  252.81878     
      840.81878
oblate               303                  810                  258.90266     
      864.90266
ellipsoid            297                  810                  247.04794     
      841.04794

The model from the data pipe 'prolate' has been selected.

relax> fix(element='diff', fixed=True)

relax> monte_carlo.setup(number=200)
RelaxError: The sequence data does not exist.




    _______________________________________________________

Reply to this item at:

  <http://gna.org/bugs/?12410>

_______________________________________________
  Message sent via/by Gna!
  http://gna.org/