I'm actually getting a different error at the start of the script.
Tyler, have you seen the following message in your test data?
----------------------------------------------------------------------------------------------------
relax> pipe.create(pipe_name='prolate', pipe_type='mf')
relax> results.read(file='results', dir='local_tm/aic')
Opening the file 'local_tm/aic/results.bz2' for reading.
RelaxWarning: The structure file 'PDB_file.pdb' cannot be found in the
current directory or the directory of the results file.
relax> model_free.remove_tm(spin_id=None)
relax> structure.read_pdb(file='PDB_file.pdb', dir=None, model=None,
parser='scientific')
Scientific Python PDB parser.
Loading all structures from the PDB file.
Structure('PDB_file.pdb', model=1):
Peptide chain A of length 1
relax> structure.vectors(attached='H', spin_id=None,
struct_index=None, verbosity=1, ave=True, unit=True)
Extracting vectors from the single structure.
Calculating the unit vectors.
The attached atom is a proton.
Traceback (most recent call last):
File "/data/relax/relax-1.3/relax", line 422, in <module>
Relax()
File "/data/relax/relax-1.3/relax", line 131, in __init__
self.interpreter.run(self.script_file)
File "/data/relax/relax-1.3/prompt/interpreter.py", line 270, in run
return run_script(intro=self.__intro_string, local=self.local,
script_file=script_file, quit=self.__quit_flag,
show_script=self.__show_script,
raise_relax_error=self.__raise_relax_error)
File "/data/relax/relax-1.3/prompt/interpreter.py", line 531, in run_script
return console.interact(intro, local, script_file, quit,
show_script=show_script, raise_relax_error=raise_relax_error)
File "/data/relax/relax-1.3/prompt/interpreter.py", line 427, in
interact_script
execfile(script_file, local)
File "full_analysis.py", line 673, in <module>
Main(self.relax)
File "full_analysis.py", line 266, in __init__
structure.vectors(attached='H')
File "prompt/structure.py", line 498, in vectors
File "/data/relax/relax-1.3/generic_fns/structure/main.py", line
308, in vectors
if obj:
ValueError: The truth value of an array with more than one element is
ambiguous. Use a.any() or a.all()
Regards,
Edward
On Fri, Oct 24, 2008 at 9:10 PM, Edward d'Auvergne
<[EMAIL PROTECTED]> wrote:
> Hi,
>
> Would it be possible to add a quick comment to the bug detailing which
> directory each file should be in? I'm trying to reproduce the bug
> now.
>
> Cheers,
>
> Edward
>
>
>
> On Fri, Oct 24, 2008 at 8:57 PM, Tyler Reddy <[EMAIL PROTECTED]> wrote:
>> It seems the main thing to reproduce this bug is to have the file #4925 I
>> uploaded in the prolate round1/opt directory where it is called during the
>> 2nd
>> round.
>>
>> I truncated and changed a bunch of stuff, but it was all reproducible
>> with this
>> minimized set once the files are in the right places.
>>
>> Tyler
>>
>>
>> Quoting Tyler Reddy <[EMAIL PROTECTED]>:
>>
>>>
>>> Additional Item Attachment, bug #12499 (project relax):
>>>
>>> File name: r2_500.out Size:0 KB
>>> File name: r2_800.out Size:0 KB
>>> File name: r2_600.out Size:0 KB
>>> File name: sequence_input Size:0 KB
>>>
>>>
>>> _______________________________________________________
>>>
>>> Reply to this item at:
>>>
>>> <http://gna.org/bugs/?12499>
>>>
>>> _______________________________________________
>>> Message sent via/by Gna!
>>> http://gna.org/
>>>
>>>
>>
>>
>>
>>
>> _______________________________________________
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>>
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