Author: bugman Date: Mon Jan 26 10:47:26 2015 New Revision: 27294 URL: http://svn.gna.org/viewcvs/relax?rev=27294&view=rev Log: Updated the artificial diffusion tensor test suite data. This is the data in test_suite/shared_data/diffusion_tensor. The residues in the PDB files are now proper amino acids, so the HETATM records are now ATOM records, and the CONECT records have been eliminated. Modified: trunk/test_suite/shared_data/diffusion_tensor/ellipsoid/NOE.500.out trunk/test_suite/shared_data/diffusion_tensor/ellipsoid/NOE.600.out trunk/test_suite/shared_data/diffusion_tensor/ellipsoid/NOE.700.out trunk/test_suite/shared_data/diffusion_tensor/ellipsoid/NOE.800.out trunk/test_suite/shared_data/diffusion_tensor/ellipsoid/R1.500.out trunk/test_suite/shared_data/diffusion_tensor/ellipsoid/R1.600.out trunk/test_suite/shared_data/diffusion_tensor/ellipsoid/R1.700.out trunk/test_suite/shared_data/diffusion_tensor/ellipsoid/R1.800.out trunk/test_suite/shared_data/diffusion_tensor/ellipsoid/R2.500.out trunk/test_suite/shared_data/diffusion_tensor/ellipsoid/R2.600.out trunk/test_suite/shared_data/diffusion_tensor/ellipsoid/R2.700.out trunk/test_suite/shared_data/diffusion_tensor/ellipsoid/R2.800.out trunk/test_suite/shared_data/diffusion_tensor/ellipsoid/uniform.pdb trunk/test_suite/shared_data/diffusion_tensor/generate_data.py trunk/test_suite/shared_data/diffusion_tensor/sphere/uniform.pdb trunk/test_suite/shared_data/diffusion_tensor/spheroid/NOE.500.out trunk/test_suite/shared_data/diffusion_tensor/spheroid/NOE.600.out trunk/test_suite/shared_data/diffusion_tensor/spheroid/NOE.700.out trunk/test_suite/shared_data/diffusion_tensor/spheroid/NOE.800.out trunk/test_suite/shared_data/diffusion_tensor/spheroid/R1.500.out trunk/test_suite/shared_data/diffusion_tensor/spheroid/R1.600.out trunk/test_suite/shared_data/diffusion_tensor/spheroid/R1.700.out trunk/test_suite/shared_data/diffusion_tensor/spheroid/R1.800.out trunk/test_suite/shared_data/diffusion_tensor/spheroid/R2.500.out trunk/test_suite/shared_data/diffusion_tensor/spheroid/R2.600.out trunk/test_suite/shared_data/diffusion_tensor/spheroid/R2.700.out trunk/test_suite/shared_data/diffusion_tensor/spheroid/R2.800.out trunk/test_suite/shared_data/diffusion_tensor/spheroid/uniform.pdb [This mail would be too long, it was shortened to contain the URLs only.] Modified: trunk/test_suite/shared_data/diffusion_tensor/ellipsoid/NOE.500.out URL: http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/diffusion_tensor/ellipsoid/NOE.500.out?rev=27294&r1=27293&r2=27294&view=diff Modified: trunk/test_suite/shared_data/diffusion_tensor/ellipsoid/NOE.600.out URL: http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/diffusion_tensor/ellipsoid/NOE.600.out?rev=27294&r1=27293&r2=27294&view=diff Modified: trunk/test_suite/shared_data/diffusion_tensor/ellipsoid/NOE.700.out URL: http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/diffusion_tensor/ellipsoid/NOE.700.out?rev=27294&r1=27293&r2=27294&view=diff Modified: trunk/test_suite/shared_data/diffusion_tensor/ellipsoid/NOE.800.out URL: http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/diffusion_tensor/ellipsoid/NOE.800.out?rev=27294&r1=27293&r2=27294&view=diff Modified: trunk/test_suite/shared_data/diffusion_tensor/ellipsoid/R1.500.out URL: http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/diffusion_tensor/ellipsoid/R1.500.out?rev=27294&r1=27293&r2=27294&view=diff Modified: trunk/test_suite/shared_data/diffusion_tensor/ellipsoid/R1.600.out URL: http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/diffusion_tensor/ellipsoid/R1.600.out?rev=27294&r1=27293&r2=27294&view=diff Modified: trunk/test_suite/shared_data/diffusion_tensor/ellipsoid/R1.700.out URL: http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/diffusion_tensor/ellipsoid/R1.700.out?rev=27294&r1=27293&r2=27294&view=diff Modified: trunk/test_suite/shared_data/diffusion_tensor/ellipsoid/R1.800.out URL: http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/diffusion_tensor/ellipsoid/R1.800.out?rev=27294&r1=27293&r2=27294&view=diff Modified: trunk/test_suite/shared_data/diffusion_tensor/ellipsoid/R2.500.out URL: http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/diffusion_tensor/ellipsoid/R2.500.out?rev=27294&r1=27293&r2=27294&view=diff Modified: trunk/test_suite/shared_data/diffusion_tensor/ellipsoid/R2.600.out URL: http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/diffusion_tensor/ellipsoid/R2.600.out?rev=27294&r1=27293&r2=27294&view=diff Modified: trunk/test_suite/shared_data/diffusion_tensor/ellipsoid/R2.700.out URL: http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/diffusion_tensor/ellipsoid/R2.700.out?rev=27294&r1=27293&r2=27294&view=diff Modified: trunk/test_suite/shared_data/diffusion_tensor/ellipsoid/R2.800.out URL: http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/diffusion_tensor/ellipsoid/R2.800.out?rev=27294&r1=27293&r2=27294&view=diff Modified: trunk/test_suite/shared_data/diffusion_tensor/ellipsoid/uniform.pdb URL: http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/diffusion_tensor/ellipsoid/uniform.pdb?rev=27294&r1=27293&r2=27294&view=diff Modified: trunk/test_suite/shared_data/diffusion_tensor/generate_data.py URL: http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/diffusion_tensor/generate_data.py?rev=27294&r1=27293&r2=27294&view=diff Modified: trunk/test_suite/shared_data/diffusion_tensor/sphere/uniform.pdb URL: http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/diffusion_tensor/sphere/uniform.pdb?rev=27294&r1=27293&r2=27294&view=diff Modified: trunk/test_suite/shared_data/diffusion_tensor/spheroid/NOE.500.out URL: http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/diffusion_tensor/spheroid/NOE.500.out?rev=27294&r1=27293&r2=27294&view=diff Modified: trunk/test_suite/shared_data/diffusion_tensor/spheroid/NOE.600.out URL: http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/diffusion_tensor/spheroid/NOE.600.out?rev=27294&r1=27293&r2=27294&view=diff Modified: trunk/test_suite/shared_data/diffusion_tensor/spheroid/NOE.700.out URL: http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/diffusion_tensor/spheroid/NOE.700.out?rev=27294&r1=27293&r2=27294&view=diff Modified: trunk/test_suite/shared_data/diffusion_tensor/spheroid/NOE.800.out URL: http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/diffusion_tensor/spheroid/NOE.800.out?rev=27294&r1=27293&r2=27294&view=diff Modified: trunk/test_suite/shared_data/diffusion_tensor/spheroid/R1.500.out URL: http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/diffusion_tensor/spheroid/R1.500.out?rev=27294&r1=27293&r2=27294&view=diff Modified: trunk/test_suite/shared_data/diffusion_tensor/spheroid/R1.600.out URL: http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/diffusion_tensor/spheroid/R1.600.out?rev=27294&r1=27293&r2=27294&view=diff Modified: trunk/test_suite/shared_data/diffusion_tensor/spheroid/R1.700.out URL: http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/diffusion_tensor/spheroid/R1.700.out?rev=27294&r1=27293&r2=27294&view=diff Modified: trunk/test_suite/shared_data/diffusion_tensor/spheroid/R1.800.out URL: http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/diffusion_tensor/spheroid/R1.800.out?rev=27294&r1=27293&r2=27294&view=diff Modified: trunk/test_suite/shared_data/diffusion_tensor/spheroid/R2.500.out URL: http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/diffusion_tensor/spheroid/R2.500.out?rev=27294&r1=27293&r2=27294&view=diff Modified: trunk/test_suite/shared_data/diffusion_tensor/spheroid/R2.600.out URL: http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/diffusion_tensor/spheroid/R2.600.out?rev=27294&r1=27293&r2=27294&view=diff Modified: trunk/test_suite/shared_data/diffusion_tensor/spheroid/R2.700.out URL: http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/diffusion_tensor/spheroid/R2.700.out?rev=27294&r1=27293&r2=27294&view=diff Modified: trunk/test_suite/shared_data/diffusion_tensor/spheroid/R2.800.out URL: http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/diffusion_tensor/spheroid/R2.800.out?rev=27294&r1=27293&r2=27294&view=diff Modified: trunk/test_suite/shared_data/diffusion_tensor/spheroid/uniform.pdb URL: http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/diffusion_tensor/spheroid/uniform.pdb?rev=27294&r1=27293&r2=27294&view=diff