r17409 - /trunk/sample_scripts/noe.py -- August 31, 2012 - 23:53

Author: bugman
Date: Fri Aug 31 23:53:41 2012
New Revision: 17409

URL: http://svn.gna.org/viewcvs/relax?rev=17409&view=rev
Log:
Modified the NOE sample script to include Trp indole NH data.


Modified:
    trunk/sample_scripts/noe.py

Modified: trunk/sample_scripts/noe.py
URL: 
http://svn.gna.org/viewcvs/relax/trunk/sample_scripts/noe.py?rev=17409&r1=17408&r2=17409&view=diff
==============================================================================
--- trunk/sample_scripts/noe.py (original)
+++ trunk/sample_scripts/noe.py Fri Aug 31 23:53:41 2012
@@ -28,10 +28,13 @@
 # Load the backbone amide 15N spins from a PDB file.
 structure.read_pdb('Ap4Aase_new_3.pdb')
 structure.load_spins(spin_id='@N')
+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')
-spectrum.read_intensities(file='sat.list', spectrum_id='sat_ave')
+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')
 
 # Set the spectrum types.
 noe.spectrum_type('ref', 'ref_ave')