Yeah, but unfortunately users seem to expect everything on a silver platter ;)




On 31 May 2011 16:49, Sébastien Morin <[email protected]> wrote:
> Hi,
>
> Yes, that might be, but hopefully the community grows and we will catch them
> rapidly...
>
> People just have to keep in mind that sample script are there to help them,
> not to do everything for them...  :p
>
> Cheers,
>
>
> Séb  :)
>
>
> On 11-05-31 4:40 PM, Edward d'Auvergne wrote:
>>
>> Cheers, I missed that one.  I think there are a number of scripts that
>> are out of date though :S
>>
>> Regards,
>>
>> Edward
>>
>>
>> On 31 May 2011 16:29,<[email protected]>  wrote:
>>>
>>> Author: semor
>>> Date: Tue May 31 16:29:49 2011
>>> New Revision: 12841
>>>
>>> URL: http://svn.gna.org/viewcvs/relax?rev=12841&view=rev
>>> Log:
>>> Updates for the diffusion tensor optimization sample script.
>>>
>>> The problem was identified (for sample script "dasha.py")
>>> by Shantanu Bhattacharyya<shantanu01 att cmu dott edu>  in the post at
>>> https://mail.gna.org/public/relax-users/2011-05/msg00018.html
>>> (Message-id:
>>> <[email protected]>).
>>>
>>> Modified:
>>>    1.3/sample_scripts/model_free/diff_min.py
>>>
>>> Modified: 1.3/sample_scripts/model_free/diff_min.py
>>> URL:
>>> http://svn.gna.org/viewcvs/relax/1.3/sample_scripts/model_free/diff_min.py?rev=12841&r1=12840&r2=12841&view=diff
>>>
>>> ==============================================================================
>>> --- 1.3/sample_scripts/model_free/diff_min.py (original)
>>> +++ 1.3/sample_scripts/model_free/diff_min.py Tue May 31 16:29:49 2011
>>> @@ -24,11 +24,7 @@
>>>
>>>
>>>  # Set the data pipe names (also the names of preset model-free models).
>>> -#pipes = ['m1']
>>>  pipes = ['m1', 'm2', 'm3', 'm4', 'm5', 'm6', 'm7', 'm8', 'm9']
>>> -
>>> -# Nuclei type
>>> -value.set('15N', 'heteronucleus')
>>>
>>>  # Minimise the model-free parameters.
>>>  print("\n\n\n\n\n")
>>> @@ -40,6 +36,9 @@
>>>  for name in pipes:
>>>     # Create the data pipe.
>>>     pipe.create(name, 'mf')
>>> +
>>> +    # Nuclei type
>>> +    value.set('15N', 'heteronucleus')
>>>
>>>     # Load the sequence.
>>>     sequence.read('noe.500.out', res_num_col=1)
>>>
>>>
>>> _______________________________________________
>>> relax (http://nmr-relax.com)
>>>
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>>>
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>> _______________________________________________
>> relax (http://nmr-relax.com)
>>
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>
> --
> Sébastien Morin, Ph.D.
> Postdoctoral Fellow, S. Grzesiek NMR Laboratory
> Department of Structural Biology
> Biozentrum, Universität Basel
> Klingelbergstrasse 70
> 4056 Basel
> Switzerland
>
>

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