mailr5457 - /1.3/sample_scripts/noe.py


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Posted by edward on April 08, 2008 - 18:20:
Author: bugman
Date: Tue Apr  8 18:20:33 2008
New Revision: 5457

URL: http://svn.gna.org/viewcvs/relax?rev=5457&view=rev
Log:
Removed all the run args to the user functions in the noe.py sample script.


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=5457&r1=5456&r2=5457&view=diff
==============================================================================
--- 1.3/sample_scripts/noe.py (original)
+++ 1.3/sample_scripts/noe.py Tue Apr  8 18:20:33 2008
@@ -2,37 +2,37 @@
 
 # Create the run
 name = 'noe'
-pipe.create(name, 'noe')
+pipe.create('noe')
 
 # Load the backbone amide 15N spins from a PDB file.
 structure.read_pdb('Ap4Aase_new_3.pdb')
 structure.load_spins(spin_id='@N')
 
 # Load the reference spectrum and saturated spectrum peak intensities.
-noe.read(name, file='ref.list', spectrum_type='ref')
-noe.read(name, file='sat.list', spectrum_type='sat')
+noe.read(file='ref.list', spectrum_type='ref')
+noe.read(file='sat.list', spectrum_type='sat')
 
 # Set the errors.
-noe.error(name, error=3600, spectrum_type='ref')
-noe.error(name, error=3000, spectrum_type='sat')
+noe.error(error=3600, spectrum_type='ref')
+noe.error(error=3000, spectrum_type='sat')
 
 # Individual residue errors.
-noe.error(name, error=122000, spectrum_type='ref', res_num=114)
-noe.error(name, error=8500, spectrum_type='sat', res_num=114)
+noe.error(error=122000, spectrum_type='ref', res_num=114)
+noe.error(error=8500, spectrum_type='sat', res_num=114)
 
 # Unselect unresolved residues.
-unselect.read(name, file='unresolved')
+unselect.read(file='unresolved')
 
 # Calculate the NOEs.
 calc(name)
 
 # Save the NOEs.
-value.write(name, param='noe', file='noe.out', force=1)
+value.write(param='noe', file='noe.out', force=1)
 
 # Create grace files.
-grace.write(name, y_data_type='ref', file='ref.agr', force=1)
-grace.write(name, y_data_type='sat', file='sat.agr', force=1)
-grace.write(name, y_data_type='noe', file='noe.agr', force=1)
+grace.write(y_data_type='ref', file='ref.agr', force=1)
+grace.write(y_data_type='sat', file='sat.agr', force=1)
+grace.write(y_data_type='noe', file='noe.agr', force=1)
 
 # View the grace files.
 grace.view(file='ref.agr')
@@ -40,7 +40,7 @@
 grace.view(file='noe.agr')
 
 # Write the results.
-results.write(name, file='results', dir=None, force=1)
+results.write(file='results', dir=None, force=1)
 
 # Save the program state.
 state.save('save', force=1)




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