mailr20638 - in /trunk/sample_scripts: noe.py relax_fit.py


Others Months | Index by Date | Thread Index
>>   [Date Prev] [Date Next] [Thread Prev] [Thread Next]

Header


Content

Posted by edward on August 20, 2013 - 17:10:
Author: bugman
Date: Tue Aug 20 17:10:55 2013
New Revision: 20638

URL: http://svn.gna.org/viewcvs/relax?rev=20638&view=rev
Log:
Updates to the sample scripts for the spectrum.read_intensities user function 
argument changes.


Modified:
    trunk/sample_scripts/noe.py
    trunk/sample_scripts/relax_fit.py

Modified: trunk/sample_scripts/noe.py
URL: 
http://svn.gna.org/viewcvs/relax/trunk/sample_scripts/noe.py?rev=20638&r1=20637&r2=20638&view=diff
==============================================================================
--- trunk/sample_scripts/noe.py (original)
+++ trunk/sample_scripts/noe.py Tue Aug 20 17:10:55 2013
@@ -1,6 +1,6 @@
 
###############################################################################
 #                                                                            
 #
-# Copyright (C) 2004-2012 Edward d'Auvergne                                  
 #
+# Copyright (C) 2004-2013 Edward d'Auvergne                                  
 #
 #                                                                            
 #
 # This file is part of the program relax (http://www.nmr-relax.com).         
 #
 #                                                                            
 #
@@ -31,10 +31,8 @@
 structure.load_spins(spin_id='@NE1')
 
 # Load the reference spectrum and saturated spectrum peak intensities.
-spectrum.read_intensities(file='ref.list', spectrum_id='ref_ave', 
heteronuc='N', proton='HN')
-spectrum.read_intensities(file='ref.list', spectrum_id='ref_ave', 
heteronuc='NE1', proton='HE1')
-spectrum.read_intensities(file='sat.list', spectrum_id='sat_ave', 
heteronuc='N', proton='HN')
-spectrum.read_intensities(file='sat.list', spectrum_id='sat_ave', 
heteronuc='NE1', proton='HE1')
+spectrum.read_intensities(file='ref.list', spectrum_id='ref_ave')
+spectrum.read_intensities(file='sat.list', spectrum_id='sat_ave')
 
 # Set the spectrum types.
 noe.spectrum_type('ref', 'ref_ave')

Modified: trunk/sample_scripts/relax_fit.py
URL: 
http://svn.gna.org/viewcvs/relax/trunk/sample_scripts/relax_fit.py?rev=20638&r1=20637&r2=20638&view=diff
==============================================================================
--- trunk/sample_scripts/relax_fit.py (original)
+++ trunk/sample_scripts/relax_fit.py Tue Aug 20 17:10:55 2013
@@ -1,6 +1,6 @@
 
###############################################################################
 #                                                                            
 #
-# Copyright (C) 2004-2012 Edward d'Auvergne                                  
 #
+# Copyright (C) 2004-2013 Edward d'Auvergne                                  
 #
 #                                                                            
 #
 # This file is part of the program relax (http://www.nmr-relax.com).         
 #
 #                                                                            
 #
@@ -60,8 +60,7 @@
 # Loop over the spectra.
 for i in range(len(names)):
     # Load the peak intensities (first the backbone NH, then the tryptophan 
indole NH).
-    spectrum.read_intensities(file=names[i]+'.list', dir=data_path, 
spectrum_id=names[i], int_method='height', heteronuc='N', proton='HN')
-    spectrum.read_intensities(file=names[i]+'.list', dir=data_path, 
spectrum_id=names[i], int_method='height', heteronuc='NE1', proton='HE1')
+    spectrum.read_intensities(file=names[i]+'.list', dir=data_path, 
spectrum_id=names[i], int_method='height')
 
     # Set the relaxation times.
     relax_fit.relax_time(time=times[i], spectrum_id=names[i])




Related Messages


Powered by MHonArc, Updated Tue Aug 20 17:20:02 2013