Author: bugman
Date: Wed Apr 9 15:59:20 2008
New Revision: 5504
URL: http://svn.gna.org/viewcvs/relax?rev=5504&view=rev
Log:
Merged revisions 5462-5465 via svnmerge from
svn+ssh://bugman@xxxxxxxxxxx/svn/relax/1.3
........
r5462 | bugman | 2008-04-08 18:29:26 +0200 (Tue, 08 Apr 2008) | 6 lines
Added a copyright statement to the noe.py sample script.
The purpose of this is so the user knows who the author of the script was
and how ancient the script
is, as well as allowing the file to be redistributable.
........
r5463 | bugman | 2008-04-08 18:31:34 +0200 (Tue, 08 Apr 2008) | 6 lines
Added a copyright statement to the relax_fit.py sample script.
The purpose of this is so the user knows who the author of the script was
and how ancient the script
is, as well as allowing the file to be redistributable.
........
r5464 | bugman | 2008-04-08 18:34:35 +0200 (Tue, 08 Apr 2008) | 6 lines
Added a copyright statement to the full_analysis.py sample script.
The purpose of this is so the user knows who the author of the script was
and how ancient the script
is, as well as allowing the file to be redistributable.
........
r5465 | bugman | 2008-04-08 18:37:27 +0200 (Tue, 08 Apr 2008) | 3 lines
Added the JBNMR reference to the full_analysis.py sample script.
........
Modified:
1.2/ (props changed)
1.2/sample_scripts/full_analysis.py
1.2/sample_scripts/noe.py
1.2/sample_scripts/relax_fit.py
Propchange: 1.2/
------------------------------------------------------------------------------
--- svnmerge-integrated (original)
+++ svnmerge-integrated Wed Apr 9 15:59:20 2008
@@ -1,1 +1,1 @@
-/1.3:1-2505,2941,2947,2950,2974,2976,2979,2984,2988,3076,3083-3084,3087,3117,3299,3309,3312,3314,3318,3345,3372,4145,4473,4476,4939,5117,5255,5396-5398
+/1.3:1-2505,2941,2947,2950,2974,2976,2979,2984,2988,3076,3083-3084,3087,3117,3299,3309,3312,3314,3318,3345,3372,4145,4473,4476,4939,5117,5255,5396-5398,5462-5465
Modified: 1.2/sample_scripts/full_analysis.py
URL:
http://svn.gna.org/viewcvs/relax/1.2/sample_scripts/full_analysis.py?rev=5504&r1=5503&r2=5504&view=diff
==============================================================================
--- 1.2/sample_scripts/full_analysis.py (original)
+++ 1.2/sample_scripts/full_analysis.py Wed Apr 9 15:59:20 2008
@@ -1,4 +1,28 @@
+###############################################################################
+#
#
+# Copyright (C) 2004-2008 Edward d'Auvergne
#
+#
#
+# This file is part of the program relax.
#
+#
#
+# relax is free software; you can redistribute it and/or modify
#
+# it under the terms of the GNU General Public License as published by
#
+# the Free Software Foundation; either version 2 of the License, or
#
+# (at your option) any later version.
#
+#
#
+# relax is distributed in the hope that it will be useful,
#
+# but WITHOUT ANY WARRANTY; without even the implied warranty of
#
+# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
#
+# GNU General Public License for more details.
#
+#
#
+# You should have received a copy of the GNU General Public License
#
+# along with relax; if not, write to the Free Software
#
+# Foundation, Inc., 59 Temple Place, Suite 330, Boston, MA 02111-1307 USA
#
+#
#
+###############################################################################
+
# Script for complete model-free analysis.
+##########################################
+
# Python module imports.
from os import getcwd, listdir
@@ -6,6 +30,11 @@
from string import lower
"""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.
Modified: 1.2/sample_scripts/noe.py
URL:
http://svn.gna.org/viewcvs/relax/1.2/sample_scripts/noe.py?rev=5504&r1=5503&r2=5504&view=diff
==============================================================================
--- 1.2/sample_scripts/noe.py (original)
+++ 1.2/sample_scripts/noe.py Wed Apr 9 15:59:20 2008
@@ -1,4 +1,27 @@
+###############################################################################
+#
#
+# Copyright (C) 2004-2008 Edward d'Auvergne
#
+#
#
+# This file is part of the program relax.
#
+#
#
+# relax is free software; you can redistribute it and/or modify
#
+# it under the terms of the GNU General Public License as published by
#
+# the Free Software Foundation; either version 2 of the License, or
#
+# (at your option) any later version.
#
+#
#
+# relax is distributed in the hope that it will be useful,
#
+# but WITHOUT ANY WARRANTY; without even the implied warranty of
#
+# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
#
+# GNU General Public License for more details.
#
+#
#
+# You should have received a copy of the GNU General Public License
#
+# along with relax; if not, write to the Free Software
#
+# Foundation, Inc., 59 Temple Place, Suite 330, Boston, MA 02111-1307 USA
#
+#
#
+###############################################################################
+
# Script for calculating NOEs.
+##############################
# Create the run
name = 'noe'
Modified: 1.2/sample_scripts/relax_fit.py
URL:
http://svn.gna.org/viewcvs/relax/1.2/sample_scripts/relax_fit.py?rev=5504&r1=5503&r2=5504&view=diff
==============================================================================
--- 1.2/sample_scripts/relax_fit.py (original)
+++ 1.2/sample_scripts/relax_fit.py Wed Apr 9 15:59:20 2008
@@ -1,4 +1,27 @@
+###############################################################################
+#
#
+# Copyright (C) 2004-2008 Edward d'Auvergne
#
+#
#
+# This file is part of the program relax.
#
+#
#
+# relax is free software; you can redistribute it and/or modify
#
+# it under the terms of the GNU General Public License as published by
#
+# the Free Software Foundation; either version 2 of the License, or
#
+# (at your option) any later version.
#
+#
#
+# relax is distributed in the hope that it will be useful,
#
+# but WITHOUT ANY WARRANTY; without even the implied warranty of
#
+# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
#
+# GNU General Public License for more details.
#
+#
#
+# You should have received a copy of the GNU General Public License
#
+# along with relax; if not, write to the Free Software
#
+# Foundation, Inc., 59 Temple Place, Suite 330, Boston, MA 02111-1307 USA
#
+#
#
+###############################################################################
+
# Script for relaxation curve fitting.
+######################################
# Create the run.
name = 'rx'
r5504 - in /1.2: ./ sample_scripts/full_analysis.py sample_scripts/noe.py sample_scripts/relax_fit.py