URL: <http://gna.org/bugs/?18554> Summary: dauvergne protocol sample script Project: relax Submitted by: None Submitted on: Wed 24 Aug 2011 12:36:22 PM UTC Category: relax sample scripts Severity: 3 - Normal Priority: 5 - Normal Status: None Privacy: Public Assigned to: None Originator Name: Madeleine Strickland Originator Email: m.strickland@xxxxxxxxxxxxx Open/Closed: Open Discussion Lock: Any Release: 1.3.11 Operating System: GNU/Linux _______________________________________________________ Details: Since ri_label has been replaced with ri_id and ri_type in 1.3.11, the program needs to be updated to change what is expected of the 13 elements described by 'RELAX_DATA' as has been done for 'relax_data.read'. Also, the script dauvergen_protocol.py needs to be updated to reflect this. I think this is the only script which uses 'RELAX_DATA'? See error below.
------------------------------ None 2033 HIS None N None 2034 HIS None N None 2035 HIS None N None 2036 HIS None N None 2037 HIS None N None 2038 HIS None N Traceback (most recent call last): File "/usr/local/bin/relax", line 7, in <module> relax.start() File "/usr/local/relax/relax.py", line 80, in start Relax(mode) File "/usr/local/relax/relax.py", line 149, in __init__ self.interpreter.run(self.script_file) File "/usr/local/relax/prompt/interpreter.py", line 297, in run return run_script(intro=self.__intro_string, local=locals(), script_file=script_file, quit=self.__quit_flag, show_script=self.__show_script, raise_relax_error=self.__raise_relax_error) File "/usr/local/relax/prompt/interpreter.py", line 606, in run_script return console.interact(intro, local, script_file, quit, show_script=show_script, raise_relax_error=raise_relax_error) File "/usr/local/relax/prompt/interpreter.py", line 492, in
interact_script
exec_script(script_file, local) File "/usr/local/relax/prompt/interpreter.py", line 380, in exec_script runpy.run_module(module, globals) File "/usr/local/lib/python2.6/runpy.py", line 140, in run_module fname, loader, pkg_name) File "/usr/local/lib/python2.6/runpy.py", line 34, in _run_code exec code in run_globals File
"/home/ms4225/nmr_data/IGF2R/dynamics/relax/chicken/FINALC_110823_relax11/full_analysis_localtm.py",
line 199, in <module> dAuvergne_protocol(diff_model=DIFF_MODEL, mf_models=MF_MODELS, local_tm_models=LOCAL_TM_MODELS, pdb_file=PDB_FILE, seq_args=SEQ_ARGS, het_name=HET_NAME, attached_name=ATTACHED_NAME, relax_data=RELAX_DATA, unres=UNRES, exclude=EXCLUDE, bond_length=BOND_LENGTH, csa=CSA, hetnuc=HETNUC, proton=PROTON, grid_inc=GRID_INC, min_algor=MIN_ALGOR, mc_num=MC_NUM, conv_loop=CONV_LOOP) File "/usr/local/relax/auto_analyses/dauvergne_protocol.py", line 228, in __init__ self.execute() File "/usr/local/relax/auto_analyses/dauvergne_protocol.py", line 556, in execute self.multi_model(local_tm=True) File "/usr/local/relax/auto_analyses/dauvergne_protocol.py", line 821, in multi_model self.interpreter.relax_data.read(ri_label=data[0], frq_label=data[1], frq=data[2], file=data[3], dir=data[4], mol_name_col=data[5], res_num_col=data[6], res_name_col=data[7], spin_num_col=data[8], spin_name_col=data[9], data_col=data[10], error_col=data[11], sep=data[12]) TypeError: read() got an unexpected keyword argument 'ri_label'
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