mailRe: Trouble with sample scripts


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Posted by Edward d'Auvergne on September 26, 2006 - 17:06:
Sorry about the time delays.  The Aust to US time difference is more
difficult to handle than the time differences.  I found the same
result, all I had to do was run the two commands

$ touch unresolved
$ relax ../../../../sample_scripts/full_analysis.py

from the directory
'test_suite/data/model_free/S2_0.970_te_2048_Rex_0.149' to trigger the
traceback.  That is quite bizarre.  I think I might know the answer -
it's probably a data formatting issue which shouldn't occur in a
normal analysis.

While I debug would you be able to create a bug report for the
problem?  It would be appreciated.  The bug tracker is located at
https://gna.org/bugs/?group=relax.  To submit the bug, find the
relevant entry in the 'bug' menu entry at the top of the page (or go
to https://gna.org/bugs/?func=additem&group=relax).  If you would like
to have your name attached to the bug rather than 'anonymous', you can
register to be a Gna! user at https://gna.org/account/register.php
(remember to sign in before submitting the report).  This step is
anyway required for the process of becoming a committer.  How to
submit a bug is described in section 3.3 of the manual (for relax
1.2.7).

Thanks,

Edward


P.S. I know this is a bit pedantic and you may have already read this but the relax name, which I think it would classified as an unregistered trademark in most places, should always be in lower case (see Section 2.11 of the manual). The lower case first letter is part of the trademark.



On 9/26/06, Alexandar Hansen <viochemist@xxxxxxxxx> wrote:
Hello,

I'm having trouble running sample scripts that involve the model selection.
For instance, when I try to run the Full_Analysis.py, after copying
everything from /test_suite/data/model_free/S2...etc./ into
the relax directory, it fails at the end and gives me this:

relax> model_selection(method='AIC', modsel_run='aic', runs=None)
AIC model selection.
Traceback (most recent call last):
  File "relax", line 442, in ?
    Relax()
  File "relax", line 159, in __init__
    self.interpreter.run()
  File
"/local/home/viochem/Programs/Relax/relax-1.2.7/prompt/interpreter.py",
line 213, in run
    run_script(intro=self.relax.intro_string, local=self.local,
script_file=self.relax.script_file , quit=1)
  File
"/local/home/viochem/Programs/Relax/relax-1.2.7/prompt/interpreter.py",
line 388, in run_script
    console.interact(intro, local, script_file, quit)
  File "/local/home/viochem/Programs/Relax/relax-
1.2.7/prompt/interpreter.py", line 340, in interact_script
    execfile(script_file, local)
  File "full_analysis.py", line 415, in ?
    Main()
  File "full_analysis.py", line 145, in __init__
    self.model_selection(run='aic', dir=self.base_dir + 'aic')
  File "full_analysis.py", line 352, in model_selection
    model_selection('AIC', run)
  File "/local/home/viochem/Programs/Relax/relax-
1.2.7/prompt/model_selection.py", line 121, in model_selection

self.relax.generic.model_selection.select(method=method,
modsel_run=modsel_run, runs=runs)
  File "/local/home/viochem/Programs/Relax/relax-
1.2.7/generic_fns/model_selection.py", line 162, in select
    for i in xrange(self.min_instances):
TypeError: an integer is required

I've tried this with relax ver. 1.2.7 and the "repository checkout" version
that is downloaded when using svn.  Does anyone have suggestions or comments
of what I might be doing wrong?  Likely it's something obvious that I'm just
missing.

Alex Hansen



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