r17175 - in /branches/interatomic/sample_scripts/model_free: dauvergne_protocol.py single_model.py -- July 04, 2012 - 10:40

Author: bugman
Date: Wed Jul  4 10:40:18 2012
New Revision: 17175

URL: http://svn.gna.org/viewcvs/relax?rev=17175&view=rev
Log:
Some small edits to clarify the sample scripts.


Modified:
    branches/interatomic/sample_scripts/model_free/dauvergne_protocol.py
    branches/interatomic/sample_scripts/model_free/single_model.py

Modified: branches/interatomic/sample_scripts/model_free/dauvergne_protocol.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/interatomic/sample_scripts/model_free/dauvergne_protocol.py?rev=17175&r1=17174&r2=17175&view=diff
==============================================================================
--- branches/interatomic/sample_scripts/model_free/dauvergne_protocol.py 
(original)
+++ branches/interatomic/sample_scripts/model_free/dauvergne_protocol.py Wed 
Jul  4 10:40:18 2012
@@ -189,13 +189,13 @@
 spin.isotope('15N', spin_id='@N')
 spin.isotope('1H', spin_id='@H')
 
-# Set up the 15N spins (alternative to the above).
+# Set up the 15N spins (alternative to the structure-based approach).
 #sequence.read(file='noe.500.out', dir=None, mol_name_col=None, 
res_num_col=1, res_name_col=2, spin_num_col=None, spin_name_col=None)
 #spin.name('N')
 #spin.element(element='N', spin_id='@N')
 #spin.isotope('15N', spin_id='@N')
 
-# Generate the 1H spins for the magnetic dipole-dipole relaxation 
interaction.
+# Generate the 1H spins for the magnetic dipole-dipole relaxation 
interaction (alternative to the structure-based approach).
 #sequence.attach_protons()
 
 # Load the relaxation data.
@@ -219,6 +219,7 @@
 value.set(-172 * 1e-6, 'csa', spin_id='@N')
 
 
+
 # Execution.
 ############
 

Modified: branches/interatomic/sample_scripts/model_free/single_model.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/interatomic/sample_scripts/model_free/single_model.py?rev=17175&r1=17174&r2=17175&view=diff
==============================================================================
--- branches/interatomic/sample_scripts/model_free/single_model.py (original)
+++ branches/interatomic/sample_scripts/model_free/single_model.py Wed Jul  4 
10:40:18 2012
@@ -28,7 +28,7 @@
 pipe.create(name, 'mf')
 
 # Set up the 15N spins.
-sequence.read(file='noe.500.out', dir=path, res_num_col=1, res_name_col=2)
+sequence.read(file='noe.500.out', res_num_col=1, res_name_col=2)
 spin.name('N')
 spin.element('N')
 spin.isotope('15N', spin_id='@N')