mailr5461 - /1.3/sample_scripts/noe.py


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Posted by edward on April 08, 2008 - 18:25:
Author: bugman
Date: Tue Apr  8 18:25:11 2008
New Revision: 5461

URL: http://svn.gna.org/viewcvs/relax?rev=5461&view=rev
Log:
A few fixes to the noe.py sample script, and removal of the 'name' variable.


Modified:
    1.3/sample_scripts/noe.py

Modified: 1.3/sample_scripts/noe.py
URL: 
http://svn.gna.org/viewcvs/relax/1.3/sample_scripts/noe.py?rev=5461&r1=5460&r2=5461&view=diff
==============================================================================
--- 1.3/sample_scripts/noe.py (original)
+++ 1.3/sample_scripts/noe.py Tue Apr  8 18:25:11 2008
@@ -1,8 +1,7 @@
 # Script for calculating NOEs.
 
 # Create the NOE data pipe.
-name = 'noe'
-pipe.create('noe')
+pipe.create('NOE', 'noe')
 
 # Load the backbone amide 15N spins from a PDB file.
 structure.read_pdb('Ap4Aase_new_3.pdb')
@@ -24,7 +23,7 @@
 unselect.read(file='unresolved')
 
 # Calculate the NOEs.
-calc(name)
+calc()
 
 # Save the NOEs.
 value.write(param='noe', file='noe.out', force=1)




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