r16973 - /branches/interatomic/test_suite/system_tests/scripts/model_free/tylers_peptide.py -- June 19, 2012 - 20:18

Author: bugman
Date: Tue Jun 19 20:18:06 2012
New Revision: 16973

URL: http://svn.gna.org/viewcvs/relax?rev=16973&view=rev
Log:
Modified the tylers_peptide.py model-free system test scripts for the unit 
vector calculation.

The structure.vectors user function has been replaced by 
dipole_pair.unit_vectors.


Modified:
    
branches/interatomic/test_suite/system_tests/scripts/model_free/tylers_peptide.py

Modified: 
branches/interatomic/test_suite/system_tests/scripts/model_free/tylers_peptide.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/interatomic/test_suite/system_tests/scripts/model_free/tylers_peptide.py?rev=16973&r1=16972&r2=16973&view=diff
==============================================================================
--- 
branches/interatomic/test_suite/system_tests/scripts/model_free/tylers_peptide.py
 (original)
+++ 
branches/interatomic/test_suite/system_tests/scripts/model_free/tylers_peptide.py
 Tue Jun 19 20:18:06 2012
@@ -18,7 +18,7 @@
 model_free.remove_tm(spin_id=None)
 sequence.display()
 structure.read_pdb(file='tylers_peptide_trunc.pdb', 
dir=DATA_PATH+'structures', parser='internal')
-structure.vectors(attached='H', spin_id=None, verbosity=1, ave=True, 
unit=True)
+dipole_pair.unit_vectors()
 diffusion_tensor.init(params=(1e-08, 0, 0, 0, 0, 0), time_scale=1.0, 
d_scale=1.0, angle_units='deg', param_types=0, spheroid_type=None, 
fixed=False)
 fix(element='all_spins', fixed=True)
 grid_search(lower=None, upper=None, inc=6, constraints=True, verbosity=1)