Author: bugman
Date: Tue Apr 8 18:37:27 2008
New Revision: 5465
URL: http://svn.gna.org/viewcvs/relax?rev=5465&view=rev
Log:
Added the JBNMR reference to the full_analysis.py sample script.
Modified:
1.3/sample_scripts/full_analysis.py
Modified: 1.3/sample_scripts/full_analysis.py
URL:
http://svn.gna.org/viewcvs/relax/1.3/sample_scripts/full_analysis.py?rev=5465&r1=5464&r2=5465&view=diff
==============================================================================
--- 1.3/sample_scripts/full_analysis.py (original)
+++ 1.3/sample_scripts/full_analysis.py Tue Apr 8 18:37:27 2008
@@ -36,6 +36,11 @@
"""Script for black-box model-free analysis.
+The model-free optimisation methodology herein is that of:
+
+d'Auvergne, E. J. and Gooley, P. R. (2008). Optimisation of NMR dynamic
models II. A new methodology for the dual optimisation of the model-free
parameters and the Brownian rotational diffusion tensor. J. Biomol. NMR,
40(2), 121-133
+
+
This script is designed for those who appreciate black-boxes or those who
appreciate complex code. Importantly data at multiple magnetic field
strengths is essential for this analysis. The script will need to be heavily
tailored to the protein in question by changing the variables just below this
documentation. If you would like to change how model-free analysis is
performed, the code in the class Main can be changed as needed. For a
description of object-oriented coding in python using classes,
functions/methods, self, etc, see the python tutorial.
The value of the variable DIFF_MODEL will determine the behaviour of this
script. The five diffusion models used in this script are:
r5465 - /1.3/sample_scripts/full_analysis.py