Dear Edward,
Thank you for answering so quickly. I will send you all details
tomorrow (It is night time for me now). But what I can say in the mean time, is
that : "RelaxError: The selection string u'u' is invalid" is the full error
message, quite short indeed, it took me long time to find this. The modsel.py
is almost same, I just use model 0 to 5, instead of 0 to 9. But as I wrote in
my previous mail, I am not at all sure that my solution is pertinent.
I'll to send you a tar file tomorrow with all details.
Have a nice day,
Bye,
Olivier Serve
Olivier Serve
Le 1 déc. 2009 à 22:40, Edward d'Auvergne a écrit :
> Hi,
>
> I have a feeling that the problem lies elsewhere. This change would
> probably be fatal - are the models correctly selected? Could you cut
> and paste the full error message? And maybe attach the modsel.py
> script? Without this, I'm not sure where the failure point is so I
> don't know what the problem could be or what the cause is.
>
> Cheers,
>
> Edward
>
>
>
> 2009/12/1 Olivier Serve <[email protected]>:
>> Hi all,
>> I wrote possible bug in my title, because I am not sure yet it is not
>> my mistake. Here is my problem :
>> I ran smoothly all the following scripts : noe.py, relax-fit.py,
>> mf_multimodel.py. But when I ran the modsel.py, I got the following error
>> message : RelaxError: The selection string u'u' is invalid. (The name of the
>> molecule begins by 'u' (ubiquitin))
>> I tracked down the error (very deep) into relax : modsel.py ->
>> prompt/model_selection.Modsel ->
>> generic_func/model_selection.select->specific_fns/model_free/main.duplicate_data->generic_fns/sequence.generate->generic_fns/mol_res_spin.return_spin
>> at line 1879.
>> The code is the following : (selection is a selection string :
>> #<mol_name> :<res_id>[, <res_id>[, <res_id>, ...]] @<atom_id>[, <atom_id>[,
>> <atom_id>, ...]],)
>> if type(selection) == str:
>> selection = [selection]
>> select_obj = []
>> for i in range(len(selection)):
>> select_obj.append(Selection(selection[i]))
>>
>> I think the problem here is that there is an iteration over a
>> selection string (something like #ubi....), so when the Selection function
>> sees 'u' alone, it does not mean anything and it raises the error.
>> I turn the code into :
>> select_obj=Selection(selection)
>> And change the code accordingly a few lines after. The script seemed
>> to have run smoothly afterward.
>>
>> If this is a bug, I'll be glad to open a bug report. If not, well,
>> I'll be glad to know what I am doing wrong.
>>
>> I wish all of you a nice day,
>> Best regards,
>> Olivier Serve
>>
>>
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