mailRe: question regarding output format


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Posted by Raj Jose on February 24, 2009 - 22:55:
Hello Dr. Edward,

1. I did get the newer code
> svn co svn://svn.gna.org/svn/relax/1.3 relax-1.3
i did try the commands you provided  value.display('S2') etc,  and it does work fine now. Secondly i also replaced the modelfree4 binary with the Portland compiler version.

2. when i ran the test suites usinf the new relax binary ( in the new relax1.3 directory), i get  a failure ( FAIL: Test the use of randomised RDCs to find the alignment tensor) and multiple errors. can you take a look at the output file in the attachments.

3. Also when I issue the relax command , i get the following error.

> relax

ImportError: relaxation curve fitting is unavailable, the corresponding C modules have not been compiled.

thanks

prem

Prem Raj B Joseph
Post Dcotoral Fellow
Dept. of Biochemistry and Molecular Biology
Sealy Center for Structural Biology and Molecular Biophysics
5.142 Medical Branch Building
University of Texas Medical Branch
Galveston, TX 77555-1055
Cell: 409-354-8536



From: Edward d'Auvergne <edward@xxxxxxxxxxxxx>
To: Raj Jose <isodna05@xxxxxxxxx>
Cc: relax-users@xxxxxxx
Sent: Saturday, February 21, 2009 10:29:40 AM
Subject: Re: question regarding output format

Hi,

What you have encountered here is a bug.  It is a relic of a complete
redesign of relax which happened between the 1.2 and 1.3 versions,
where some small bits of code have not yet been converted to the new
design.  I fixed this bug a few days ago for you though.  These
changes are located in the relax source code repository.  You can
either wait for me to release a new version (which probably will not
occur for while) or to fetch the code directly from the relax
repository.  For the last option, you just have to type:

$ svn co svn://svn.gna.org/svn/relax/1.3 relax-1.3

or if this doesn't work:

$ svn co http://svn.gna.org/svn/relax/1.3 relax-1.3

You will need the Subversion program installed to do this.  The copy
of relax in the resultant 'relax-1.3' directory will have the fixes
you need.  I hope this helps.

Regards,

Edward




On Sat, Feb 21, 2009 at 4:33 PM, Raj Jose <isodna05@xxxxxxxxx> wrote:
> Dr Edwards,
>
> I tried to run the below commands you sent to me on one of the files
> ~/relax-1.3.3/test_suite/shared_data/model_free/results_1.2.bz2
>
>
> relax> pipe.create('prdata','mf')
> relax> results.read('results_1.2')
> Opening the file 'results_1.2.bz2' for reading.
> relax 1.2 model-free results file.
>
> Generating the sequence.
>
> Setting the diffusion tensor.
> Diffusion type: sphere
> relax> value.display('S2')
> RelaxError: The parameter argument None must be a string.
>
> if i say
>
> relax> value.display('prdata','S2')
> Traceback (most recent call last):
>  File "<console>", line 1, in <module>
>  File "/home/prem/programs/relax-1.3.3/prompt/value.py", line 152, in
> display
>    self.__relax__.generic.value.display(run=run, param=param)
> TypeError: display() got an unexpected keyword argument 'run'
>
> I get the above error.
> i am still trying to get a grip on RELAX. sorry to trouble you with these
> trivial issues.
>
> thanks
>
> prem
>
>
>
> Prem Raj B Joseph
> Post Dcotoral Fellow
> Dept. of Biochemistry and Molecular Biology
> Sealy Center for Structural Biology and Molecular Biophysics
> 5.142 Medical Branch Building
> University of Texas Medical Branch
> Galveston, TX 77555-1055
> Cell: 409-354-8536
>
> ________________________________
> From: Edward d'Auvergne <edward@xxxxxxxxxxxxx>
> To: Raj Jose <isodna05@xxxxxxxxx>
> Cc: relax-users@xxxxxxx
> Sent: Thursday, February 19, 2009 3:45:32 AM
> Subject: Re: question regarding output format
>
> Hi,
>
> This depends on which format you would like to use.  There is one
> script, sample_scripts/latex_mf_table.py, that will generate a LaTeX
> table from your model-free data.  If this is not what you need, then
> the output text file could possibly also be imported into Excel as a
> field delimited file with the delimiter set to '&'.  If you need
> something a bit different, this script could be modified to produce
> the table in a slightly different format.  Or you could output the
> results by typing the following into the relax:
>
> pipe.create('my data', 'mf')
> results.read('your_results_file')
> value.display('S2')
> value.display('S2f')
> value.display('S2s')
> value.display('te')
> value.display('tf')
> value.display('ts')
> value.display('Rex')
>
> etc.  I hope this helps.  Otherwise there is alway the option of
> cutting and pasting from the results file directly.
>
> Regards,
>
> Edward
>
>
>
>
> On Thu, Feb 19, 2009 at 2:06 AM, Raj Jose <isodna05@xxxxxxxxx> wrote:
>> Hello,
>>
>> Thanks Dr. Edward for the reply and the suggestions.
>> I was wondering if there are any general python scripts available to get
>> the  final outputs in a presentable
>> format of all the modelfree parameter , for all the residues after the
>> final run.
>>
>> thanks
>> prem
>>
>> Prem Raj B Joseph
>> Post Dcotoral Fellow
>> Dept. of Biochemistry and Molecular Biology
>> Sealy Center for Structural Biology and Molecular Biophysics
>> 5.142 Medical Branch Building
>> University of Texas Medical Branch
>> Galveston, TX 77555-1055
>> Cell: 409-354-8536
>>
>>
>>
>>
>>
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>>
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>
>
>
> _______________________________________________
> relax (http://nmr-relax.com)
>
> This is the relax-users mailing list
> relax-users@xxxxxxx
>
> To unsubscribe from this list, get a password
> reminder, or change your subscription options,
> visit the list information page at
> https://mail.gna.org/listinfo/relax-users
>
>

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