r10818 - /1.3/sample_scripts/stereochem_analysis.py -- February 22, 2010 - 16:13

Author: bugman
Date: Mon Feb 22 16:13:55 2010
New Revision: 10818

URL: http://svn.gna.org/viewcvs/relax?rev=10818&view=rev
Log:
Added an NOE normalisation variable to the stereochem_analysis.py sample 
script.


Modified:
    1.3/sample_scripts/stereochem_analysis.py

Modified: 1.3/sample_scripts/stereochem_analysis.py
URL: 
http://svn.gna.org/viewcvs/relax/1.3/sample_scripts/stereochem_analysis.py?rev=10818&r1=10817&r2=10818&view=diff
==============================================================================
--- 1.3/sample_scripts/stereochem_analysis.py (original)
+++ 1.3/sample_scripts/stereochem_analysis.py Mon Feb 22 16:13:55 2010
@@ -74,8 +74,9 @@
 ["Q10", ["@H23", "@H24", "@H25"]]
 ]
 
-# NOE file.
+# NOE info.
 NOE_FILE = "noes"
+NOE_NORM = 50 * 4**2    # The NOE normalisation factor (sum of all NOEs 
squared).
 
 # RDC file info.
 RDC_NAME = "PAN"
@@ -116,6 +117,7 @@
     snapshot_max=SNAPSHOT_MAX,
     pseudo=PSEUDO,
     noe_file=NOE_FILE,
+    noe_norm=NOE_NORM,
     rdc_name=RDC_NAME,
     rdc_file=RDC_FILE,
     rdc_spin_id_col=RDC_SPIN_ID_COL,