mailRe: [task #6847] The Bieri graphical user interface.


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Posted by Edward d'Auvergne on July 13, 2010 - 10:24:
Cool, the patch is looking much better.  Just a quick question before
I apply it to the 1.3 line - did you mean to delete the NOE
calculation call?

-        # Calculate the NOEs.
-        self.interpreter.calc()

Regards,

Edward



On 13 July 2010 01:47, Michael Bieri <NO-REPLY.INVALID-ADDRESS@xxxxxxx> wrote:

Follow-up Comment #55, task #6847 (project relax):

Hi Edward

Here the commit message for the noe.py file to integrate the GUI:

-----

Major patch for integrating the GUI into the noe calculation.

Changes include:
- output filename can be specified
- folder, where results files will be placed, can be specified
- label of hetero nucleus and proton of peak lists and pdb file can be
selected
- sequence is read either by sequence file or pdb file

- removed white spaces and progress output.

-------------------

cheers
Michael

(file #9490)
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File name: patch                          Size:7 KB


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Reply to this item at:

 <http://gna.org/task/?6847>

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