r17440 - /trunk/sample_scripts/relax_fit.py -- September 03, 2012 - 17:37

Author: bugman
Date: Mon Sep  3 17:37:14 2012
New Revision: 17440

URL: http://svn.gna.org/viewcvs/relax?rev=17440&view=rev
Log:
Added trp indole NH loading into the relaxation curve-fitting sample script.


Modified:
    trunk/sample_scripts/relax_fit.py

Modified: trunk/sample_scripts/relax_fit.py
URL: 
http://svn.gna.org/viewcvs/relax/trunk/sample_scripts/relax_fit.py?rev=17440&r1=17439&r2=17440&view=diff
==============================================================================
--- trunk/sample_scripts/relax_fit.py (original)
+++ trunk/sample_scripts/relax_fit.py Mon Sep  3 17:37:14 2012
@@ -59,8 +59,9 @@
 
 # Loop over the spectra.
 for i in xrange(len(names)):
-    # Load the peak intensities.
-    spectrum.read_intensities(file=names[i]+'.list', dir=data_path, 
spectrum_id=names[i], int_method='height')
+    # 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')
 
     # Set the relaxation times.
     relax_fit.relax_time(time=times[i], spectrum_id=names[i])