r3333 - /1.3/sample_scripts/jw_mapping.py -- July 09, 2007 - 23:06

Author: bugman
Date: Mon Jul  9 22:57:15 2007
New Revision: 3333

URL: http://svn.gna.org/viewcvs/relax?rev=3333&view=rev
Log:
Manually ported r3332 from the 1.2 line - the addition of Grace plotting to 
the jw_mapping script.

The command used was:
svn merge -r3331:3332 svn+ssh://bugman@xxxxxxxxxxx/svn/relax/1.2

.....
 r3332 | bugman | 2007-07-09 22:48:18 +0200 (Mon, 09 Jul 2007) | 6 lines
 Changed paths:
    M /1.2/sample_scripts/jw_mapping.py

 Application of Sebastien Morin's patch 
'patch_sample_scripts_consistency_tests'.

 See the post located at 
https://mail.gna.org/public/relax-devel/2007-07/msg00015.html for
 details.
.....


Modified:
    1.3/sample_scripts/jw_mapping.py

Modified: 1.3/sample_scripts/jw_mapping.py
URL: 
http://svn.gna.org/viewcvs/relax/1.3/sample_scripts/jw_mapping.py?rev=3333&r1=3332&r2=3333&view=diff
==============================================================================
--- 1.3/sample_scripts/jw_mapping.py (original)
+++ 1.3/sample_scripts/jw_mapping.py Mon Jul  9 22:57:15 2007
@@ -8,7 +8,7 @@
 nuclei('N')
 
 # Load the sequence.
-sequence.read(name, 'noe.500.out')
+sequence.read(name, 'noe.600.out')
 
 # Load the relaxation data.
 relax_data.read(name, 'R1', '600', 600.0 * 1e6, 'r1.600.out')
@@ -26,11 +26,21 @@
 calc(name)
 
 # Monte Carlo simulations.
-monte_carlo.setup(name, number=5000)
+monte_carlo.setup(name, number=500)
 monte_carlo.create_data(name)
 calc(name)
 monte_carlo.error_analysis(name)
 
+# Create grace files.
+grace.write(name, y_data_type='j0', file='j0.agr', force=1)
+grace.write(name, y_data_type='jwx', file='jwx.agr', force=1)
+grace.write(name, y_data_type='jwh', file='jwh.agr', force=1)
+
+# View the grace files.
+grace.view(file='j0.agr')
+grace.view(file='jwx.agr')
+grace.view(file='jwh.agr')
+
 # Finish.
 results.write(run=name, file='results', force=1)
 state.save('save', force=1)