Hi Edward
That's strange that the calc() function is deleted. But it shouldn't be!
Cheers
Michael
Am 13.07.2010 18:24, schrieb Edward d'Auvergne:
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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