Author: bugman Date: Fri Sep 17 15:57:47 2010 New Revision: 11608 URL: http://svn.gna.org/viewcvs/relax?rev=11608&view=rev Log: Merged revisions 11607 via svnmerge from svn+ssh://bugman@xxxxxxxxxxx/svn/relax/1.3 ........ r11607 | bugman | 2010-09-17 15:57:10 +0200 (Fri, 17 Sep 2010) | 3 lines Fix for the NOE auto-analysis - the spins are now named to the value of the 'heteronuc' arg. ........ Modified: branches/bieri_gui/ (props changed) branches/bieri_gui/auto_analyses/noe.py Propchange: branches/bieri_gui/ ------------------------------------------------------------------------------ --- svnmerge-integrated (original) +++ svnmerge-integrated Fri Sep 17 15:57:47 2010 @@ -1,1 +1,1 @@ -/1.3:1-11597 +/1.3:1-11607 Modified: branches/bieri_gui/auto_analyses/noe.py URL: http://svn.gna.org/viewcvs/relax/branches/bieri_gui/auto_analyses/noe.py?rev=11608&r1=11607&r2=11608&view=diff ============================================================================== --- branches/bieri_gui/auto_analyses/noe.py (original) +++ branches/bieri_gui/auto_analyses/noe.py Fri Sep 17 15:57:47 2010 @@ -107,12 +107,19 @@ self.interpreter.pipe.create(self.pipe_name, 'noe') # Load the sequence. - if self.pdb_file: # load PDB File + if self.pdb_file: + # Load the PDB file. self.interpreter.structure.read_pdb(self.pdb_file) + + # Read the spin information. generic_fns.structure.main.load_spins(spin_id=heteronuc_pdb) else: + # Read the sequence file. self.interpreter.sequence.read(file=self.seq_args[0], dir=self.seq_args[1], mol_name_col=self.seq_args[2], res_num_col=self.seq_args[3], res_name_col=self.seq_args[4], spin_num_col=self.seq_args[5], spin_name_col=self.seq_args[6], sep=self.seq_args[7]) + + # Name the spins. + self.interpreter.spin.name(name=self.heteronuc) # Load the reference spectrum and saturated spectrum peak intensities. self.interpreter.spectrum.read_intensities(file=self.noe_ref, spectrum_id='ref', int_method=self.int_method, heteronuc=self.heteronuc, proton=self.proton)