mailr11043 - in /1.3/test_suite/shared_data/diffusion_tensor: ./ ellipsoid/ spheroid/


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Posted by edward on March 19, 2010 - 15:34:
Author: bugman
Date: Fri Mar 19 15:34:21 2010
New Revision: 11043

URL: http://svn.gna.org/viewcvs/relax?rev=11043&view=rev
Log:
Fix for the generate_data.pdb() function.

The returned vectors are now rotated to the diffusion tensor frame and are 
rearranged to match the
PDB file residue ordering.


Modified:
    1.3/test_suite/shared_data/diffusion_tensor/ellipsoid/NOE.500.out
    1.3/test_suite/shared_data/diffusion_tensor/ellipsoid/NOE.600.out
    1.3/test_suite/shared_data/diffusion_tensor/ellipsoid/NOE.700.out
    1.3/test_suite/shared_data/diffusion_tensor/ellipsoid/NOE.800.out
    1.3/test_suite/shared_data/diffusion_tensor/ellipsoid/R1.500.out
    1.3/test_suite/shared_data/diffusion_tensor/ellipsoid/R1.600.out
    1.3/test_suite/shared_data/diffusion_tensor/ellipsoid/R1.700.out
    1.3/test_suite/shared_data/diffusion_tensor/ellipsoid/R1.800.out
    1.3/test_suite/shared_data/diffusion_tensor/ellipsoid/R2.500.out
    1.3/test_suite/shared_data/diffusion_tensor/ellipsoid/R2.600.out
    1.3/test_suite/shared_data/diffusion_tensor/ellipsoid/R2.700.out
    1.3/test_suite/shared_data/diffusion_tensor/ellipsoid/R2.800.out
    1.3/test_suite/shared_data/diffusion_tensor/generate_data.py
    1.3/test_suite/shared_data/diffusion_tensor/spheroid/NOE.500.out
    1.3/test_suite/shared_data/diffusion_tensor/spheroid/NOE.600.out
    1.3/test_suite/shared_data/diffusion_tensor/spheroid/NOE.700.out
    1.3/test_suite/shared_data/diffusion_tensor/spheroid/NOE.800.out
    1.3/test_suite/shared_data/diffusion_tensor/spheroid/R1.500.out
    1.3/test_suite/shared_data/diffusion_tensor/spheroid/R1.600.out
    1.3/test_suite/shared_data/diffusion_tensor/spheroid/R1.700.out
    1.3/test_suite/shared_data/diffusion_tensor/spheroid/R1.800.out
    1.3/test_suite/shared_data/diffusion_tensor/spheroid/R2.500.out
    1.3/test_suite/shared_data/diffusion_tensor/spheroid/R2.600.out
    1.3/test_suite/shared_data/diffusion_tensor/spheroid/R2.700.out
    1.3/test_suite/shared_data/diffusion_tensor/spheroid/R2.800.out

[This mail would be too long, it was shortened to contain the URLs only.]

Modified: 1.3/test_suite/shared_data/diffusion_tensor/ellipsoid/NOE.500.out
URL: 
http://svn.gna.org/viewcvs/relax/1.3/test_suite/shared_data/diffusion_tensor/ellipsoid/NOE.500.out?rev=11043&r1=11042&r2=11043&view=diff

Modified: 1.3/test_suite/shared_data/diffusion_tensor/ellipsoid/NOE.600.out
URL: 
http://svn.gna.org/viewcvs/relax/1.3/test_suite/shared_data/diffusion_tensor/ellipsoid/NOE.600.out?rev=11043&r1=11042&r2=11043&view=diff

Modified: 1.3/test_suite/shared_data/diffusion_tensor/ellipsoid/NOE.700.out
URL: 
http://svn.gna.org/viewcvs/relax/1.3/test_suite/shared_data/diffusion_tensor/ellipsoid/NOE.700.out?rev=11043&r1=11042&r2=11043&view=diff

Modified: 1.3/test_suite/shared_data/diffusion_tensor/ellipsoid/NOE.800.out
URL: 
http://svn.gna.org/viewcvs/relax/1.3/test_suite/shared_data/diffusion_tensor/ellipsoid/NOE.800.out?rev=11043&r1=11042&r2=11043&view=diff

Modified: 1.3/test_suite/shared_data/diffusion_tensor/ellipsoid/R1.500.out
URL: 
http://svn.gna.org/viewcvs/relax/1.3/test_suite/shared_data/diffusion_tensor/ellipsoid/R1.500.out?rev=11043&r1=11042&r2=11043&view=diff

Modified: 1.3/test_suite/shared_data/diffusion_tensor/ellipsoid/R1.600.out
URL: 
http://svn.gna.org/viewcvs/relax/1.3/test_suite/shared_data/diffusion_tensor/ellipsoid/R1.600.out?rev=11043&r1=11042&r2=11043&view=diff

Modified: 1.3/test_suite/shared_data/diffusion_tensor/ellipsoid/R1.700.out
URL: 
http://svn.gna.org/viewcvs/relax/1.3/test_suite/shared_data/diffusion_tensor/ellipsoid/R1.700.out?rev=11043&r1=11042&r2=11043&view=diff

Modified: 1.3/test_suite/shared_data/diffusion_tensor/ellipsoid/R1.800.out
URL: 
http://svn.gna.org/viewcvs/relax/1.3/test_suite/shared_data/diffusion_tensor/ellipsoid/R1.800.out?rev=11043&r1=11042&r2=11043&view=diff

Modified: 1.3/test_suite/shared_data/diffusion_tensor/ellipsoid/R2.500.out
URL: 
http://svn.gna.org/viewcvs/relax/1.3/test_suite/shared_data/diffusion_tensor/ellipsoid/R2.500.out?rev=11043&r1=11042&r2=11043&view=diff

Modified: 1.3/test_suite/shared_data/diffusion_tensor/ellipsoid/R2.600.out
URL: 
http://svn.gna.org/viewcvs/relax/1.3/test_suite/shared_data/diffusion_tensor/ellipsoid/R2.600.out?rev=11043&r1=11042&r2=11043&view=diff

Modified: 1.3/test_suite/shared_data/diffusion_tensor/ellipsoid/R2.700.out
URL: 
http://svn.gna.org/viewcvs/relax/1.3/test_suite/shared_data/diffusion_tensor/ellipsoid/R2.700.out?rev=11043&r1=11042&r2=11043&view=diff

Modified: 1.3/test_suite/shared_data/diffusion_tensor/ellipsoid/R2.800.out
URL: 
http://svn.gna.org/viewcvs/relax/1.3/test_suite/shared_data/diffusion_tensor/ellipsoid/R2.800.out?rev=11043&r1=11042&r2=11043&view=diff

Modified: 1.3/test_suite/shared_data/diffusion_tensor/generate_data.py
URL: 
http://svn.gna.org/viewcvs/relax/1.3/test_suite/shared_data/diffusion_tensor/generate_data.py?rev=11043&r1=11042&r2=11043&view=diff

Modified: 1.3/test_suite/shared_data/diffusion_tensor/spheroid/NOE.500.out
URL: 
http://svn.gna.org/viewcvs/relax/1.3/test_suite/shared_data/diffusion_tensor/spheroid/NOE.500.out?rev=11043&r1=11042&r2=11043&view=diff

Modified: 1.3/test_suite/shared_data/diffusion_tensor/spheroid/NOE.600.out
URL: 
http://svn.gna.org/viewcvs/relax/1.3/test_suite/shared_data/diffusion_tensor/spheroid/NOE.600.out?rev=11043&r1=11042&r2=11043&view=diff

Modified: 1.3/test_suite/shared_data/diffusion_tensor/spheroid/NOE.700.out
URL: 
http://svn.gna.org/viewcvs/relax/1.3/test_suite/shared_data/diffusion_tensor/spheroid/NOE.700.out?rev=11043&r1=11042&r2=11043&view=diff

Modified: 1.3/test_suite/shared_data/diffusion_tensor/spheroid/NOE.800.out
URL: 
http://svn.gna.org/viewcvs/relax/1.3/test_suite/shared_data/diffusion_tensor/spheroid/NOE.800.out?rev=11043&r1=11042&r2=11043&view=diff

Modified: 1.3/test_suite/shared_data/diffusion_tensor/spheroid/R1.500.out
URL: 
http://svn.gna.org/viewcvs/relax/1.3/test_suite/shared_data/diffusion_tensor/spheroid/R1.500.out?rev=11043&r1=11042&r2=11043&view=diff

Modified: 1.3/test_suite/shared_data/diffusion_tensor/spheroid/R1.600.out
URL: 
http://svn.gna.org/viewcvs/relax/1.3/test_suite/shared_data/diffusion_tensor/spheroid/R1.600.out?rev=11043&r1=11042&r2=11043&view=diff

Modified: 1.3/test_suite/shared_data/diffusion_tensor/spheroid/R1.700.out
URL: 
http://svn.gna.org/viewcvs/relax/1.3/test_suite/shared_data/diffusion_tensor/spheroid/R1.700.out?rev=11043&r1=11042&r2=11043&view=diff

Modified: 1.3/test_suite/shared_data/diffusion_tensor/spheroid/R1.800.out
URL: 
http://svn.gna.org/viewcvs/relax/1.3/test_suite/shared_data/diffusion_tensor/spheroid/R1.800.out?rev=11043&r1=11042&r2=11043&view=diff

Modified: 1.3/test_suite/shared_data/diffusion_tensor/spheroid/R2.500.out
URL: 
http://svn.gna.org/viewcvs/relax/1.3/test_suite/shared_data/diffusion_tensor/spheroid/R2.500.out?rev=11043&r1=11042&r2=11043&view=diff

Modified: 1.3/test_suite/shared_data/diffusion_tensor/spheroid/R2.600.out
URL: 
http://svn.gna.org/viewcvs/relax/1.3/test_suite/shared_data/diffusion_tensor/spheroid/R2.600.out?rev=11043&r1=11042&r2=11043&view=diff

Modified: 1.3/test_suite/shared_data/diffusion_tensor/spheroid/R2.700.out
URL: 
http://svn.gna.org/viewcvs/relax/1.3/test_suite/shared_data/diffusion_tensor/spheroid/R2.700.out?rev=11043&r1=11042&r2=11043&view=diff

Modified: 1.3/test_suite/shared_data/diffusion_tensor/spheroid/R2.800.out
URL: 
http://svn.gna.org/viewcvs/relax/1.3/test_suite/shared_data/diffusion_tensor/spheroid/R2.800.out?rev=11043&r1=11042&r2=11043&view=diff

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