Follow-up Comment #55, task #6847 (project relax):
Hi Edward
Here the commit message for the noe.py file to integrate the GUI:
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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.
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cheers
Michael
(file #9490)
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Additional Item Attachment:
File name: patch Size:7 KB
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