Author: bugman
Date: Mon Jan 26 11:26:15 2015
New Revision: 27297
URL: http://svn.gna.org/viewcvs/relax?rev=27297&view=rev
Log:
Changed the synthetic PDB for the artificial diffusion tensor test suite data.
The nitrogen and proton positions are now shifted 10 Angstrom along the
distribution vectors. This
is to avoid having all nitrogens positioned at the origin which causes the
internal structural
object algorithm for determining which atoms are connected to fail.
Modified:
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/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/uniform.pdb
URL:
http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/diffusion_tensor/ellipsoid/uniform.pdb?rev=27297&r1=27296&r2=27297&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=27297&r1=27296&r2=27297&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=27297&r1=27296&r2=27297&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=27297&r1=27296&r2=27297&view=diff
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