mailRe: Trouble with sample scripts


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Posted by Alexandar Hansen on September 26, 2006 - 17:33:
Don't worry about the time delays, it's completely understandable. 

I'll go submit the bug.  Out of curiosity, what do you mean by it wouldn't happen in normal analysis?  If I were to create a real set of data with a different PDB, I won't have the problem?

And then with the relax name, I think you were referring to one of my directory names in the bug description.  I had installed relax in a directory that I had already created (for relaxation analysis programs in general).  Is the concern that any updates I potentially send would have the capital R instead?  If so, I'll definitely be sure to move things.  I hope I didn't offend.

Thanks,
Alex Hansen

On 9/26/06, Edward d'Auvergne <edward.dauvergne@xxxxxxxxx> wrote:
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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