r6550 - /1.3/sample_scripts/full_analysis.py -- June 29, 2008 - 01:01

Author: bugman
Date: Sun Jun 29 01:01:35 2008
New Revision: 6550

URL: http://svn.gna.org/viewcvs/relax?rev=6550&view=rev
Log:
Made the docstring a little more epydoc friendly.


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=6550&r1=6549&r2=6550&view=diff
==============================================================================
--- 1.3/sample_scripts/full_analysis.py (original)
+++ 1.3/sample_scripts/full_analysis.py Sun Jun 29 01:01:35 2008
@@ -51,7 +51,7 @@
 
 
 Model I - Local tm
-~~~~~~~~~~~~~~~~~~
+==================
 
 This will optimise the diffusion model whereby all spin of the molecule have 
a local tm value, i.e. there is no global diffusion tensor.  This model needs 
to be optimised prior to optimising any of the other diffusion models.  Each 
spin is fitted to the multiple model-free models separately, where the 
parameter tm is included in each model.
 
@@ -59,7 +59,7 @@
 
 
 Model II - Sphere
-~~~~~~~~~~~~~~~~~
+=================
 
 This will optimise the isotropic diffusion model.  Multiple steps are 
required, an initial optimisation of the diffusion tensor, followed by a 
repetitive optimisation until convergence of the diffusion tensor.  Each of 
these steps requires this script to be rerun. For the initial optimisation, 
which will be placed in the directory './sphere/init/', the following steps 
are used:
 
@@ -80,26 +80,26 @@
 
 
 Model III - Prolate spheroid
-~~~~~~~~~~~~~~~~~~~~~~~~~~~~
+============================
 
 The methods used are identical to those of diffusion model MII, except that 
an axially symmetric diffusion tensor with Da >= 0 is used.  The base 
directory containing all the results is './prolate/'.
 
 
 Model IV - Oblate spheroid
-~~~~~~~~~~~~~~~~~~~~~~~~~~
+==========================
 
 The methods used are identical to those of diffusion model MII, except that 
an axially symmetric diffusion tensor with Da <= 0 is used.  The base 
directory containing all the results is './oblate/'.
 
 
 Model V - Ellipsoid
-~~~~~~~~~~~~~~~~~~~
+===================
 
 The methods used are identical to those of diffusion model MII, except that 
a fully anisotropic diffusion tensor is used (also known as rhombic or 
asymmetric diffusion).  The base directory is './ellipsoid/'.
 
 
 
 Final run
-~~~~~~~~~
+=========
 
 Once all the diffusion models have converged, the final run can be executed. 
 This is done by setting the variable DIFF_MODEL to 'final'.  This consists 
of two steps, diffusion tensor model selection, and Monte Carlo simulations.  
Firstly AIC model selection is used to select between the diffusion tensor 
models.  Monte Carlo simulations are then run solely on this selected 
diffusion model.  Minimisation of the model is bypassed as it is assumed that 
the model is already fully optimised (if this is not the case the final run 
is not yet appropriate).