Author: bugman
Date: Fri Mar 4 14:57:06 2011
New Revision: 12795
URL: http://svn.gna.org/viewcvs/relax?rev=12795&view=rev
Log:
Updated all of the sample scripts for the new relaxation data ID string
design.
Modified:
1.3/sample_scripts/consistency_tests.py
1.3/sample_scripts/jw_mapping.py
1.3/sample_scripts/model_free/dasha.py
1.3/sample_scripts/model_free/diff_min.py
1.3/sample_scripts/model_free/map.py
1.3/sample_scripts/model_free/mf_multimodel.py
1.3/sample_scripts/model_free/palmer.py
1.3/sample_scripts/model_free/remap.py
1.3/sample_scripts/model_free/single_model.py
Modified: 1.3/sample_scripts/consistency_tests.py
URL:
http://svn.gna.org/viewcvs/relax/1.3/sample_scripts/consistency_tests.py?rev=12795&r1=12794&r2=12795&view=diff
==============================================================================
--- 1.3/sample_scripts/consistency_tests.py (original)
+++ 1.3/sample_scripts/consistency_tests.py Fri Mar 4 14:57:06 2011
@@ -1,6 +1,6 @@
###############################################################################
#
#
-# Copyright (C) 2007-2008 Sebastien Morin
#
+# Copyright (C) 2007-2011 Sebastien Morin
#
#
#
# This file is part of the program relax.
#
#
#
@@ -58,9 +58,9 @@
sequence.read('noe.600.out', res_num_col=1)
# Load the relaxation data.
-relax_data.read('R1', '600', 600.0 * 1e6, 'r1.600.out', 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(ri_id='R1_600', ri_type='R1', frq=600.0*1e6,
file='r1.600.out', res_num_col=1, data_col=3, error_col=4)
+relax_data.read(ri_id='R2_600', ri_type='R2', frq=600.0*1e6,
file='r2.600.out', res_num_col=1, data_col=3, error_col=4)
+relax_data.read(ri_id='NOE_600', ri_type='NOE', frq=600.0*1e6,
file='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/jw_mapping.py
URL:
http://svn.gna.org/viewcvs/relax/1.3/sample_scripts/jw_mapping.py?rev=12795&r1=12794&r2=12795&view=diff
==============================================================================
--- 1.3/sample_scripts/jw_mapping.py (original)
+++ 1.3/sample_scripts/jw_mapping.py Fri Mar 4 14:57:06 2011
@@ -1,6 +1,6 @@
###############################################################################
#
#
-# Copyright (C) 2004-2009 Edward d'Auvergne
#
+# Copyright (C) 2004-2011 Edward d'Auvergne
#
#
#
# This file is part of the program relax.
#
#
#
@@ -30,9 +30,9 @@
sequence.read('noe.600.out', res_num_col=1)
# Load the relaxation data.
-relax_data.read('R1', '600', 600.0 * 1e6, 'r1.600.out', 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(ri_id='R1_600', ri_type='R1', frq=600.0*1e6,
file='r1.600.out', res_num_col=1, data_col=3, error_col=4)
+relax_data.read(ri_id='R2_600', ri_type='R2', frq=600.0*1e6,
file='r2.600.out', res_num_col=1, data_col=3, error_col=4)
+relax_data.read(ri_id='NOE_600', ri_type='NOE', frq=600.0*1e6,
file='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/model_free/dasha.py
URL:
http://svn.gna.org/viewcvs/relax/1.3/sample_scripts/model_free/dasha.py?rev=12795&r1=12794&r2=12795&view=diff
==============================================================================
--- 1.3/sample_scripts/model_free/dasha.py (original)
+++ 1.3/sample_scripts/model_free/dasha.py Fri Mar 4 14:57:06 2011
@@ -42,12 +42,12 @@
#structure.read_pdb('example.pdb')
# Load the relaxation data.
- 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)
+ relax_data.read(ri_id='R1_600', ri_type='R1', frq=600.0*1e6,
file='r1.600.out', res_num_col=1, data_col=3, error_col=4)
+ relax_data.read(ri_id='R2_600', ri_type='R2', frq=600.0*1e6,
file='r2.600.out', res_num_col=1, data_col=3, error_col=4)
+ relax_data.read(ri_id='NOE_600', ri_type='NOE', frq=600.0*1e6,
file='noe.600.out', res_num_col=1, data_col=3, error_col=4)
+ relax_data.read(ri_id='R1_500', ri_type='R1', frq=500.0*1e6,
file='r1.500.out', res_num_col=1, data_col=3, error_col=4)
+ relax_data.read(ri_id='R2_500', ri_type='R2', frq=500.0*1e6,
file='r2.500.out', res_num_col=1, data_col=3, error_col=4)
+ relax_data.read(ri_id='NOE_500', ri_type='NOE', frq=500.0*1e6,
file='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/model_free/diff_min.py
URL:
http://svn.gna.org/viewcvs/relax/1.3/sample_scripts/model_free/diff_min.py?rev=12795&r1=12794&r2=12795&view=diff
==============================================================================
--- 1.3/sample_scripts/model_free/diff_min.py (original)
+++ 1.3/sample_scripts/model_free/diff_min.py Fri Mar 4 14:57:06 2011
@@ -48,12 +48,12 @@
structure.read_pdb('example.pdb')
# Load the relaxation data.
- 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)
+ relax_data.read(ri_id='R1_600', ri_type='R1', frq=600.0*1e6,
file='r1.600.out', res_num_col=1, data_col=3, error_col=4)
+ relax_data.read(ri_id='R2_600', ri_type='R2', frq=600.0*1e6,
file='r2.600.out', res_num_col=1, data_col=3, error_col=4)
+ relax_data.read(ri_id='NOE_600', ri_type='NOE', frq=600.0*1e6,
file='noe.600.out', res_num_col=1, data_col=3, error_col=4)
+ relax_data.read(ri_id='R1_500', ri_type='R1', frq=500.0*1e6,
file='r1.500.out', res_num_col=1, data_col=3, error_col=4)
+ relax_data.read(ri_id='R2_500', ri_type='R2', frq=500.0*1e6,
file='r2.500.out', res_num_col=1, data_col=3, error_col=4)
+ relax_data.read(ri_id='NOE_500', ri_type='NOE', frq=500.0*1e6,
file='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/model_free/map.py
URL:
http://svn.gna.org/viewcvs/relax/1.3/sample_scripts/model_free/map.py?rev=12795&r1=12794&r2=12795&view=diff
==============================================================================
--- 1.3/sample_scripts/model_free/map.py (original)
+++ 1.3/sample_scripts/model_free/map.py Fri Mar 4 14:57:06 2011
@@ -34,12 +34,12 @@
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', 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)
+relax_data.read(ri_id='R1_600', ri_type='R1', frq=600.0*1e6,
file='r1.600.out', res_num_col=1, data_col=3, error_col=4)
+relax_data.read(ri_id='R2_600', ri_type='R2', frq=600.0*1e6,
file='r2.600.out', res_num_col=1, data_col=3, error_col=4)
+relax_data.read(ri_id='NOE_600', ri_type='NOE', frq=600.0*1e6,
file='noe.600.out', res_num_col=1, data_col=3, error_col=4)
+relax_data.read(ri_id='R1_500', ri_type='R1', frq=500.0*1e6,
file='r1.500.out', res_num_col=1, data_col=3, error_col=4)
+relax_data.read(ri_id='R2_500', ri_type='R2', frq=500.0*1e6,
file='r2.500.out', res_num_col=1, data_col=3, error_col=4)
+relax_data.read(ri_id='NOE_500', ri_type='NOE', frq=500.0*1e6,
file='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/model_free/mf_multimodel.py
URL:
http://svn.gna.org/viewcvs/relax/1.3/sample_scripts/model_free/mf_multimodel.py?rev=12795&r1=12794&r2=12795&view=diff
==============================================================================
--- 1.3/sample_scripts/model_free/mf_multimodel.py (original)
+++ 1.3/sample_scripts/model_free/mf_multimodel.py Fri Mar 4 14:57:06 2011
@@ -1,6 +1,6 @@
###############################################################################
#
#
-# Copyright (C) 2003-2009 Edward d'Auvergne
#
+# Copyright (C) 2003-2011 Edward d'Auvergne
#
#
#
# This file is part of the program relax.
#
#
#
@@ -43,12 +43,12 @@
structure.vectors(spin_id='@N', attached='H*', ave=False)
# Load the relaxation data.
- 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)
+ relax_data.read(ri_id='R1_600', ri_type='R1', frq=600.0*1e6,
file='r1.600.out', res_num_col=1, data_col=3, error_col=4)
+ relax_data.read(ri_id='R2_600', ri_type='R2', frq=600.0*1e6,
file='r2.600.out', res_num_col=1, data_col=3, error_col=4)
+ relax_data.read(ri_id='NOE_600', ri_type='NOE', frq=600.0*1e6,
file='noe.600.out', res_num_col=1, data_col=3, error_col=4)
+ relax_data.read(ri_id='R1_500', ri_type='R1', frq=500.0*1e6,
file='r1.500.out', res_num_col=1, data_col=3, error_col=4)
+ relax_data.read(ri_id='R2_500', ri_type='R2', frq=500.0*1e6,
file='r2.500.out', res_num_col=1, data_col=3, error_col=4)
+ relax_data.read(ri_id='NOE_500', ri_type='NOE', frq=500.0*1e6,
file='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/palmer.py
URL:
http://svn.gna.org/viewcvs/relax/1.3/sample_scripts/model_free/palmer.py?rev=12795&r1=12794&r2=12795&view=diff
==============================================================================
--- 1.3/sample_scripts/model_free/palmer.py (original)
+++ 1.3/sample_scripts/model_free/palmer.py Fri Mar 4 14:57:06 2011
@@ -1,6 +1,6 @@
###############################################################################
#
#
-# Copyright (C) 2001-2008 Edward d'Auvergne
#
+# Copyright (C) 2001-2011 Edward d'Auvergne
#
#
#
# This file is part of the program relax.
#
#
#
@@ -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',
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)
+ relax_data.read(ri_id='R1_600', ri_type='R1', frq=600.0*1e6,
file='r1.600.out', res_num_col=1, data_col=3, error_col=4)
+ relax_data.read(ri_id='R2_600', ri_type='R2', frq=600.0*1e6,
file='r2.600.out', res_num_col=1, data_col=3, error_col=4)
+ relax_data.read(ri_id='NOE_600', ri_type='NOE', frq=600.0*1e6,
file='noe.600.out', res_num_col=1, data_col=3, error_col=4)
+ relax_data.read(ri_id='R1_500', ri_type='R1', frq=500.0*1e6,
file='r1.500.out', res_num_col=1, data_col=3, error_col=4)
+ relax_data.read(ri_id='R2_500', ri_type='R2', frq=500.0*1e6,
file='r2.500.out', res_num_col=1, data_col=3, error_col=4)
+ relax_data.read(ri_id='NOE_500', ri_type='NOE', frq=500.0*1e6,
file='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/model_free/remap.py
URL:
http://svn.gna.org/viewcvs/relax/1.3/sample_scripts/model_free/remap.py?rev=12795&r1=12794&r2=12795&view=diff
==============================================================================
--- 1.3/sample_scripts/model_free/remap.py (original)
+++ 1.3/sample_scripts/model_free/remap.py Fri Mar 4 14:57:06 2011
@@ -58,12 +58,12 @@
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', 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)
+relax_data.read(ri_id='R1_600', ri_type='R1', frq=600.0*1e6,
file='r1.600.out', res_num_col=1, data_col=3, error_col=4)
+relax_data.read(ri_id='R2_600', ri_type='R2', frq=600.0*1e6,
file='r2.600.out', res_num_col=1, data_col=3, error_col=4)
+relax_data.read(ri_id='NOE_600', ri_type='NOE', frq=600.0*1e6,
file='noe.600.out', res_num_col=1, data_col=3, error_col=4)
+relax_data.read(ri_id='R1_500', ri_type='R1', frq=500.0*1e6,
file='r1.500.out', res_num_col=1, data_col=3, error_col=4)
+relax_data.read(ri_id='R2_500', ri_type='R2', frq=500.0*1e6,
file='r2.500.out', res_num_col=1, data_col=3, error_col=4)
+relax_data.read(ri_id='NOE_500', ri_type='NOE', frq=500.0*1e6,
file='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/model_free/single_model.py
URL:
http://svn.gna.org/viewcvs/relax/1.3/sample_scripts/model_free/single_model.py?rev=12795&r1=12794&r2=12795&view=diff
==============================================================================
--- 1.3/sample_scripts/model_free/single_model.py (original)
+++ 1.3/sample_scripts/model_free/single_model.py Fri Mar 4 14:57:06 2011
@@ -1,6 +1,6 @@
###############################################################################
#
#
-# Copyright (C) 2003-2008 Edward d'Auvergne
#
+# Copyright (C) 2003-2011 Edward d'Auvergne
#
#
#
# This file is part of the program relax.
#
#
#
@@ -34,12 +34,12 @@
#structure.read_pdb('example.pdb')
# Load the relaxation data.
-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)
+relax_data.read(ri_id='R1_600', ri_type='R1', frq=600.0*1e6,
file='r1.600.out', res_num_col=1, data_col=3, error_col=4)
+relax_data.read(ri_id='R2_600', ri_type='R2', frq=600.0*1e6,
file='r2.600.out', res_num_col=1, data_col=3, error_col=4)
+relax_data.read(ri_id='NOE_600', ri_type='NOE', frq=600.0*1e6,
file='noe.600.out', res_num_col=1, data_col=3, error_col=4)
+relax_data.read(ri_id='R1_500', ri_type='R1', frq=500.0*1e6,
file='r1.500.out', res_num_col=1, data_col=3, error_col=4)
+relax_data.read(ri_id='R2_500', ri_type='R2', frq=500.0*1e6,
file='r2.500.out', res_num_col=1, data_col=3, error_col=4)
+relax_data.read(ri_id='NOE_500', ri_type='NOE', frq=500.0*1e6,
file='noe.500.out', res_num_col=1, data_col=3, error_col=4)
# Setup other values.
diffusion_tensor.init(10e-9, fixed=True)
r12795 - in /1.3/sample_scripts: ./ model_free/