Cheers, I missed that one. I think there are a number of scripts that
are out of date though :S
Regards,
Edward
On 31 May 2011 16:29,<sebastien.morin@xxxxxxxxx> wrote:
Author: semor
Date: Tue May 31 16:29:49 2011
New Revision: 12841
URL: http://svn.gna.org/viewcvs/relax?rev=12841&view=rev
Log:
Updates for the diffusion tensor optimization sample script.
The problem was identified (for sample script "dasha.py")
by Shantanu Bhattacharyya<shantanu01 att cmu dott edu> in the post
at
https://mail.gna.org/public/relax-users/2011-05/msg00018.html
(Message-id:
<7a068ac7a9e90b8e8d374b334a20d4be.squirrel@xxxxxxxxxxxxxxxxxxxxxx>).
Modified:
1.3/sample_scripts/model_free/diff_min.py
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=12841&r1=12840&r2=12841&view=diff
==============================================================================
--- 1.3/sample_scripts/model_free/diff_min.py (original)
+++ 1.3/sample_scripts/model_free/diff_min.py Tue May 31 16:29:49 2011
@@ -24,11 +24,7 @@
# Set the data pipe names (also the names of preset model-free
models).
-#pipes = ['m1']
pipes = ['m1', 'm2', 'm3', 'm4', 'm5', 'm6', 'm7', 'm8', 'm9']
-
-# Nuclei type
-value.set('15N', 'heteronucleus')
# Minimise the model-free parameters.
print("\n\n\n\n\n")
@@ -40,6 +36,9 @@
for name in pipes:
# Create the data pipe.
pipe.create(name, 'mf')
+
+ # Nuclei type
+ value.set('15N', 'heteronucleus')
# Load the sequence.
sequence.read('noe.500.out', res_num_col=1)
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