Author: bugman Date: Sun Jun 29 01:30:07 2008 New Revision: 6557 URL: http://svn.gna.org/viewcvs/relax?rev=6557&view=rev Log: Merged the SEQUENCE and SEQ_ARGS user variables. Modified: 1.3/sample_scripts/full_analysis.py Modified: 1.3/sample_scripts/full_analysis.py URL: http://svn.gna.org/viewcvs/relax/1.3/sample_scripts/full_analysis.py?rev=6557&r1=6556&r2=6557&view=diff ============================================================================== --- 1.3/sample_scripts/full_analysis.py (original) +++ 1.3/sample_scripts/full_analysis.py Sun Jun 29 01:30:07 2008 @@ -133,11 +133,8 @@ # The PDB file (set this to None if no structure is available). PDB_FILE = '1f3y.pdb' -# The file containing the sequence. -SEQUENCE = 'noe.600.out' - -# The sequence.read() arguments (corresponding to the keyword arguments [dir, mol_name_col, res_num_col, res_name_col, spin_num_col, spin_name_col, sep], see the sequence.read() documentation for more information). -SEQ_ARGS = [None, None, 0, 1, None, None, None] +# The sequence data (file name, dir, mol_name_col, res_num_col, res_name_col, spin_num_col, spin_name_col, sep). These are the arguments to the sequence.read() user function, for more information please see the documentation for that function. +SEQ_ARGS = ['noe.600.out', None, None, 0, 1, None, None, None] # The relaxation data (data type, frequency label, frequency, file name, dir, mol_name_col, res_num_col, res_name_col, spin_num_col, spin_name_col, sep). These are the arguments to the relax_data.read() user function, please see the documentation for that function for more information. RELAX_DATA = [['R1', '600', 599.719 * 1e6, 'r1.600.out', None, None, 0, 1, None, None, 2, 3, None], @@ -592,7 +589,7 @@ pipe.create(name, 'mf') # Load the sequence. - sequence.read(SEQUENCE, SEQ_ARGS[0], SEQ_ARGS[1], SEQ_ARGS[2], SEQ_ARGS[3], SEQ_ARGS[4], SEQ_ARGS[5], SEQ_ARGS[6]) + sequence.read(SEQ_ARGS[0], SEQ_ARGS[1], SEQ_ARGS[2], SEQ_ARGS[3], SEQ_ARGS[4], SEQ_ARGS[5], SEQ_ARGS[6], SEQ_ARGS[7]) # Load the PDB file and calculate the unit vectors parallel to the XH bond. if not local_tm and PDB_FILE: