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) _______________________________________________________ Additional Item Attachment: File name: patch Size:7 KB _______________________________________________________ Reply to this item at: <http://gna.org/task/?6847> _______________________________________________ Nachricht geschickt von/durch Gna! http://gna.org/