Author: semor Date: Wed Oct 7 20:37:57 2009 New Revision: 9650 URL: http://svn.gna.org/viewcvs/relax?rev=9650&view=rev Log: Modified the relax_data.read() entries in order to reflect the new design. The relax_data.read() function now absolutely needs arguments for 'res_num_col', 'data_col' and 'error_col'. Hence, this argument is now shown in the sample script in order to avoid the users lose time figuring out where their script went bad... Modified: 1.3/sample_scripts/consistency_tests.py 1.3/sample_scripts/dasha.py 1.3/sample_scripts/diff_min.py 1.3/sample_scripts/jw_mapping.py 1.3/sample_scripts/map.py 1.3/sample_scripts/mf_multimodel.py 1.3/sample_scripts/model-free.py 1.3/sample_scripts/palmer.py 1.3/sample_scripts/remap.py Modified: 1.3/sample_scripts/consistency_tests.py URL: http://svn.gna.org/viewcvs/relax/1.3/sample_scripts/consistency_tests.py?rev=9650&r1=9649&r2=9650&view=diff ============================================================================== --- 1.3/sample_scripts/consistency_tests.py (original) +++ 1.3/sample_scripts/consistency_tests.py Wed Oct 7 20:37:57 2009 @@ -31,9 +31,9 @@ sequence.read('noe.600.out', res_num_col=1) # Load the relaxation data. -relax_data.read('R1', '600', 600.0 * 1e6, 'r1.600.out') -relax_data.read('R2', '600', 600.0 * 1e6, 'r2.600.out') -relax_data.read('NOE', '600', 600.0 * 1e6, 'noe.600.out') +relax_data.read('R1', '600', 600.0 * 1e6, 'r1.600.out', res_num_col=1, data_col=3, error_col=4) +relax_data.read('R2', '600', 600.0 * 1e6, 'r2.600.out', res_num_col=1, data_col=3, error_col=4) +relax_data.read('NOE', '600', 600.0 * 1e6, 'noe.600.out', res_num_col=1, data_col=3, error_col=4) # Set the nuclei types value.set('15N', 'heteronucleus') Modified: 1.3/sample_scripts/dasha.py URL: http://svn.gna.org/viewcvs/relax/1.3/sample_scripts/dasha.py?rev=9650&r1=9649&r2=9650&view=diff ============================================================================== --- 1.3/sample_scripts/dasha.py (original) +++ 1.3/sample_scripts/dasha.py Wed Oct 7 20:37:57 2009 @@ -19,12 +19,12 @@ #structure.read_pdb('example.pdb') # Load the relaxation data. - relax_data.read('R1', '600', 600.0 * 1e6, 'r1.600.out') - relax_data.read('R2', '600', 600.0 * 1e6, 'r2.600.out') - relax_data.read('NOE', '600', 600.0 * 1e6, 'noe.600.out') - relax_data.read('R1', '500', 500.0 * 1e6, 'r1.500.out') - relax_data.read('R2', '500', 500.0 * 1e6, 'r2.500.out') - relax_data.read('NOE', '500', 500.0 * 1e6, 'noe.500.out') + relax_data.read('R1', '600', 600.0 * 1e6, 'r1.600.out', res_num_col=1, data_col=3, error_col=4) + relax_data.read('R2', '600', 600.0 * 1e6, 'r2.600.out', res_num_col=1, data_col=3, error_col=4) + relax_data.read('NOE', '600', 600.0 * 1e6, 'noe.600.out', res_num_col=1, data_col=3, error_col=4) + relax_data.read('R1', '500', 500.0 * 1e6, 'r1.500.out', res_num_col=1, data_col=3, error_col=4) + relax_data.read('R2', '500', 500.0 * 1e6, 'r2.500.out', res_num_col=1, data_col=3, error_col=4) + relax_data.read('NOE', '500', 500.0 * 1e6, 'noe.500.out', res_num_col=1, data_col=3, error_col=4) # Setup other values. diffusion_tensor.init(10e-9, fixed=1) Modified: 1.3/sample_scripts/diff_min.py URL: http://svn.gna.org/viewcvs/relax/1.3/sample_scripts/diff_min.py?rev=9650&r1=9649&r2=9650&view=diff ============================================================================== --- 1.3/sample_scripts/diff_min.py (original) +++ 1.3/sample_scripts/diff_min.py Wed Oct 7 20:37:57 2009 @@ -25,12 +25,12 @@ structure.read_pdb('example.pdb') # Load the relaxation data. - relax_data.read('R1', '600', 600.0 * 1e6, 'r1.600.out') - relax_data.read('R2', '600', 600.0 * 1e6, 'r2.600.out') - relax_data.read('NOE', '600', 600.0 * 1e6, 'noe.600.out') - relax_data.read('R1', '500', 500.0 * 1e6, 'r1.500.out') - relax_data.read('R2', '500', 500.0 * 1e6, 'r2.500.out') - relax_data.read('NOE', '500', 500.0 * 1e6, 'noe.500.out') + relax_data.read('R1', '600', 600.0 * 1e6, 'r1.600.out', res_num_col=1, data_col=3, error_col=4) + relax_data.read('R2', '600', 600.0 * 1e6, 'r2.600.out', res_num_col=1, data_col=3, error_col=4) + relax_data.read('NOE', '600', 600.0 * 1e6, 'noe.600.out', res_num_col=1, data_col=3, error_col=4) + relax_data.read('R1', '500', 500.0 * 1e6, 'r1.500.out', res_num_col=1, data_col=3, error_col=4) + relax_data.read('R2', '500', 500.0 * 1e6, 'r2.500.out', res_num_col=1, data_col=3, error_col=4) + relax_data.read('NOE', '500', 500.0 * 1e6, 'noe.500.out', res_num_col=1, data_col=3, error_col=4) # Setup other values. diffusion_tensor.init((1e-8, 1.0, 60, 290), param_types=1, spheroid_type='oblate', fixed=1) Modified: 1.3/sample_scripts/jw_mapping.py URL: http://svn.gna.org/viewcvs/relax/1.3/sample_scripts/jw_mapping.py?rev=9650&r1=9649&r2=9650&view=diff ============================================================================== --- 1.3/sample_scripts/jw_mapping.py (original) +++ 1.3/sample_scripts/jw_mapping.py Wed Oct 7 20:37:57 2009 @@ -7,9 +7,9 @@ sequence.read('noe.600.out', res_num_col=1) # Load the relaxation data. -relax_data.read('R1', '600', 600.0 * 1e6, 'r1.600.out') -relax_data.read('R2', '600', 600.0 * 1e6, 'r2.600.out') -relax_data.read('NOE', '600', 600.0 * 1e6, 'noe.600.out') +relax_data.read('R1', '600', 600.0 * 1e6, 'r1.600.out', res_num_col=1, data_col=3, error_col=4) +relax_data.read('R2', '600', 600.0 * 1e6, 'r2.600.out', res_num_col=1, data_col=3, error_col=4) +relax_data.read('NOE', '600', 600.0 * 1e6, 'noe.600.out', res_num_col=1, data_col=3, error_col=4) # Set the nuclei types. value.set('15N', 'heteronucleus') Modified: 1.3/sample_scripts/map.py URL: http://svn.gna.org/viewcvs/relax/1.3/sample_scripts/map.py?rev=9650&r1=9649&r2=9650&view=diff ============================================================================== --- 1.3/sample_scripts/map.py (original) +++ 1.3/sample_scripts/map.py Wed Oct 7 20:37:57 2009 @@ -11,12 +11,12 @@ sequence.read(name, 'noe.500.out', res_num_col=1) # Load the relaxation data. -relax_data.read(name, 'R1', '600', 600.0 * 1e6, 'r1.600.out') -relax_data.read(name, 'R2', '600', 600.0 * 1e6, 'r2.600.out') -relax_data.read(name, 'NOE', '600', 600.0 * 1e6, 'noe.600.out') -relax_data.read(name, 'R1', '500', 500.0 * 1e6, 'r1.500.out') -relax_data.read(name, 'R2', '500', 500.0 * 1e6, 'r2.500.out') -relax_data.read(name, 'NOE', '500', 500.0 * 1e6, 'noe.500.out') +relax_data.read(name, 'R1', '600', 600.0 * 1e6, 'r1.600.out', res_num_col=1, data_col=3, error_col=4) +relax_data.read(name, 'R2', '600', 600.0 * 1e6, 'r2.600.out', res_num_col=1, data_col=3, error_col=4) +relax_data.read(name, 'NOE', '600', 600.0 * 1e6, 'noe.600.out', res_num_col=1, data_col=3, error_col=4) +relax_data.read(name, 'R1', '500', 500.0 * 1e6, 'r1.500.out', res_num_col=1, data_col=3, error_col=4) +relax_data.read(name, 'R2', '500', 500.0 * 1e6, 'r2.500.out', res_num_col=1, data_col=3, error_col=4) +relax_data.read(name, 'NOE', '500', 500.0 * 1e6, 'noe.500.out', res_num_col=1, data_col=3, error_col=4) # Setup other values. diffusion_tensor.init(name, 1e-8) Modified: 1.3/sample_scripts/mf_multimodel.py URL: http://svn.gna.org/viewcvs/relax/1.3/sample_scripts/mf_multimodel.py?rev=9650&r1=9649&r2=9650&view=diff ============================================================================== --- 1.3/sample_scripts/mf_multimodel.py (original) +++ 1.3/sample_scripts/mf_multimodel.py Wed Oct 7 20:37:57 2009 @@ -39,12 +39,12 @@ #structure.read_pdb('example.pdb') # Load the relaxation data. - relax_data.read('R1', '600', 600.0 * 1e6, 'r1.600.out') - relax_data.read('R2', '600', 600.0 * 1e6, 'r2.600.out') - relax_data.read('NOE', '600', 600.0 * 1e6, 'noe.600.out') - relax_data.read('R1', '500', 500.0 * 1e6, 'r1.500.out') - relax_data.read('R2', '500', 500.0 * 1e6, 'r2.500.out') - relax_data.read('NOE', '500', 500.0 * 1e6, 'noe.500.out') + relax_data.read('R1', '600', 600.0 * 1e6, 'r1.600.out', res_num_col=1, data_col=3, error_col=4) + relax_data.read('R2', '600', 600.0 * 1e6, 'r2.600.out', res_num_col=1, data_col=3, error_col=4) + relax_data.read('NOE', '600', 600.0 * 1e6, 'noe.600.out', res_num_col=1, data_col=3, error_col=4) + relax_data.read('R1', '500', 500.0 * 1e6, 'r1.500.out', res_num_col=1, data_col=3, error_col=4) + relax_data.read('R2', '500', 500.0 * 1e6, 'r2.500.out', res_num_col=1, data_col=3, error_col=4) + relax_data.read('NOE', '500', 500.0 * 1e6, 'noe.500.out', res_num_col=1, data_col=3, error_col=4) # Setup other values. diffusion_tensor.init(1e-8, fixed=True) Modified: 1.3/sample_scripts/model-free.py URL: http://svn.gna.org/viewcvs/relax/1.3/sample_scripts/model-free.py?rev=9650&r1=9649&r2=9650&view=diff ============================================================================== --- 1.3/sample_scripts/model-free.py (original) +++ 1.3/sample_scripts/model-free.py Wed Oct 7 20:37:57 2009 @@ -34,12 +34,12 @@ #structure.read_pdb('example.pdb') # Load the relaxation data. -relax_data.read('R1', '600', 600.0 * 1e6, 'r1.600.out') -relax_data.read('R2', '600', 600.0 * 1e6, 'r2.600.out') -relax_data.read('NOE', '600', 600.0 * 1e6, 'noe.600.out') -relax_data.read('R1', '500', 500.0 * 1e6, 'r1.500.out') -relax_data.read('R2', '500', 500.0 * 1e6, 'r2.500.out') -relax_data.read('NOE', '500', 500.0 * 1e6, 'noe.500.out') +relax_data.read('R1', '600', 600.0 * 1e6, 'r1.600.out', res_num_col=1, data_col=3, error_col=4) +relax_data.read('R2', '600', 600.0 * 1e6, 'r2.600.out', res_num_col=1, data_col=3, error_col=4) +relax_data.read('NOE', '600', 600.0 * 1e6, 'noe.600.out', res_num_col=1, data_col=3, error_col=4) +relax_data.read('R1', '500', 500.0 * 1e6, 'r1.500.out', res_num_col=1, data_col=3, error_col=4) +relax_data.read('R2', '500', 500.0 * 1e6, 'r2.500.out', res_num_col=1, data_col=3, error_col=4) +relax_data.read('NOE', '500', 500.0 * 1e6, 'noe.500.out', res_num_col=1, data_col=3, error_col=4) # Setup other values. diffusion_tensor.init(10e-9, fixed=True) Modified: 1.3/sample_scripts/palmer.py URL: http://svn.gna.org/viewcvs/relax/1.3/sample_scripts/palmer.py?rev=9650&r1=9649&r2=9650&view=diff ============================================================================== --- 1.3/sample_scripts/palmer.py (original) +++ 1.3/sample_scripts/palmer.py Wed Oct 7 20:37:57 2009 @@ -55,12 +55,12 @@ #structure.read_pdb('Ap4Aase_new_3.pdb') # Load the relaxation data. - relax_data.read('R1', '600', 600.0 * 1e6, 'r1.600.out') - relax_data.read('R2', '600', 600.0 * 1e6, 'r2.600.out') - relax_data.read('NOE', '600', 600.0 * 1e6, 'noe.600.out') - relax_data.read('R1', '500', 500.0 * 1e6, 'r1.500.out') - relax_data.read('R2', '500', 500.0 * 1e6, 'r2.500.out') - relax_data.read('NOE', '500', 500.0 * 1e6, 'noe.500.out') + relax_data.read('R1', '600', 600.0 * 1e6, 'r1.600.out', res_num_col=1, data_col=3, error_col=4) + relax_data.read('R2', '600', 600.0 * 1e6, 'r2.600.out', res_num_col=1, data_col=3, error_col=4) + relax_data.read('NOE', '600', 600.0 * 1e6, 'noe.600.out', res_num_col=1, data_col=3, error_col=4) + relax_data.read('R1', '500', 500.0 * 1e6, 'r1.500.out', res_num_col=1, data_col=3, error_col=4) + relax_data.read('R2', '500', 500.0 * 1e6, 'r2.500.out', res_num_col=1, data_col=3, error_col=4) + relax_data.read('NOE', '500', 500.0 * 1e6, 'noe.500.out', res_num_col=1, data_col=3, error_col=4) # Setup other values. diffusion_tensor.init(1e-8) Modified: 1.3/sample_scripts/remap.py URL: http://svn.gna.org/viewcvs/relax/1.3/sample_scripts/remap.py?rev=9650&r1=9649&r2=9650&view=diff ============================================================================== --- 1.3/sample_scripts/remap.py (original) +++ 1.3/sample_scripts/remap.py Wed Oct 7 20:37:57 2009 @@ -35,12 +35,12 @@ sequence.read(name, 'noe.500.out', res_num_col=1) # Load the relaxation data. -relax_data.read(name, 'R1', '600', 600.0 * 1e6, 'r1.600.out') -relax_data.read(name, 'R2', '600', 600.0 * 1e6, 'r2.600.out') -relax_data.read(name, 'NOE', '600', 600.0 * 1e6, 'noe.600.out') -relax_data.read(name, 'R1', '500', 500.0 * 1e6, 'r1.500.out') -relax_data.read(name, 'R2', '500', 500.0 * 1e6, 'r2.500.out') -relax_data.read(name, 'NOE', '500', 500.0 * 1e6, 'noe.500.out') +relax_data.read(name, 'R1', '600', 600.0 * 1e6, 'r1.600.out', res_num_col=1, data_col=3, error_col=4) +relax_data.read(name, 'R2', '600', 600.0 * 1e6, 'r2.600.out', res_num_col=1, data_col=3, error_col=4) +relax_data.read(name, 'NOE', '600', 600.0 * 1e6, 'noe.600.out', res_num_col=1, data_col=3, error_col=4) +relax_data.read(name, 'R1', '500', 500.0 * 1e6, 'r1.500.out', res_num_col=1, data_col=3, error_col=4) +relax_data.read(name, 'R2', '500', 500.0 * 1e6, 'r2.500.out', res_num_col=1, data_col=3, error_col=4) +relax_data.read(name, 'NOE', '500', 500.0 * 1e6, 'noe.500.out', res_num_col=1, data_col=3, error_col=4) # Setup other values. diffusion_tensor.init(name, 1e-8)