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) _______________________________________________________ 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/ _______________________________________________ relax (http://nmr-relax.com) This is the relax-devel mailing list relax-devel@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-devel