Author: tlinnet Date: Fri Dec 6 09:16:34 2013 New Revision: 21807 URL: http://svn.gna.org/viewcvs/relax?rev=21807&view=rev Log: Extended reading of spin residue names from NMRPipe SeriesTab formatted file.
Work in progress for Support Request #3044, (https://gna.org/support/index.php?3044) - Load spins from SPARKY list. Modified: trunk/lib/spectrum/nmrpipe.py Modified: trunk/lib/spectrum/nmrpipe.py URL: http://svn.gna.org/viewcvs/relax/trunk/lib/spectrum/nmrpipe.py?rev=21807&r1=21806&r2=21807&view=diff ============================================================================== --- trunk/lib/spectrum/nmrpipe.py (original) +++ trunk/lib/spectrum/nmrpipe.py Fri Dec 6 09:16:34 2013 @@ -111,7 +111,13 @@ try: res_num = int(row1[-3]) except: - raise RelaxError("Improperly formatted NMRPipe SeriesTab file., cannot process the assignment '%s'." % line[0]) + raise RelaxError("Improperly formatted NMRPipe SeriesTab file, cannot process the assignment '%s'." % line[0]) + + # The residue name. + try: + res_name = row1[-4] + except: + raise RelaxError("Improperly formatted NMRPipe SeriesTab file, cannot process the assignment '%s' for residue name." % line[0]) # Get the intensities. try: @@ -126,4 +132,4 @@ raise RelaxError("The peak intensity value %s from the line %s is invalid." % (intensity, line)) # Add the assignment to the peak list object. - peak_list.add(res_nums=[res_num, res_num], spin_names=[name1, name2], intensity=intensities, intensity_name=spectra) + peak_list.add(res_nums=[res_num, res_num], res_names=[res_name, res_name], spin_names=[name1, name2], intensity=intensities, intensity_name=spectra) _______________________________________________ relax (http://www.nmr-relax.com) This is the relax-commits mailing list relax-commits@gna.org 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-commits