Hi , I got sparky peak list file written as 568?-? 123.445 8.765 3.45E06 . . . . . When I tried to read in this file through GUI, it complains ---------- Sparky formatted data file. Number of header lines found: 1 2D peak list detected. RelaxWarning: Improperly formatted Sparky file, cannot process the residue name for dimension 1 in assignment: 546N-H. Setting residue name to None. RelaxWarning: Improperly formatted NMRPipe SeriesTab file, cannot process the residue name for dimension 2 in assignment: 546N-H. Setting residue name to None. Traceback (most recent call last): File "/home/mkc9/Programs/RELAX/relax-3.1.1/gui/wizards/wiz_objects.py", line 161, in _apply self.exec_status = self.on_execute() File "/home/mkc9/Programs/RELAX/relax-3.1.1/gui/uf_objects.py", line 883, in on_execute return_status = self.execute(self.name, **kargs) File "/home/mkc9/Programs/RELAX/relax-3.1.1/gui/uf_objects.py", line 805, in execute return_status = interpreter.apply(uf, *args, **kwds) File "/home/mkc9/Programs/RELAX/relax-3.1.1/gui/interpreter.py", line 109, in apply apply(fn, args, kwds) File "/home/mkc9/Programs/RELAX/relax-3.1.1/pipe_control/spectrum.py", line 530, in read peak_list = read_peak_list(file=file, dir=dir, int_col=int_col, spin_id_col=spin_id_col, mol_name_col=mol_name_col, res_num_col=res_num_col, res_name_col=res_name_col, spin_num_col=spin_num_col, spin_name_col=spin_name_col, sep=sep, spin_id=spin_id) File "/home/mkc9/Programs/RELAX/relax-3.1.1/lib/spectrum/peak_list.py", line 208, in read_peak_list sparky.read_list(peak_list=peak_list, file_data=file_data) File "/home/mkc9/Programs/RELAX/relax-3.1.1/lib/spectrum/sparky.py", line 203, in read_list intensity = float(line[int_col]) IndexError: list index out of range ----- Since I already made sequence & spin system with correct residue number, I expected the residue number in Sparky file should be enough. So,my questions are: 1. the sparky file format for relax should be made as written in the manual? 2. Can relax recognize FASTA sequence and automatically generate Spin system? Thanks and Happy Holiday! Min-Kyu |