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)