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)
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