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Molecular dynamics by NMR data analysis

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Commit [r27297] Maximize Restore History

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.

Authored by: bugman 2015-01-26

Browse code at this revision

Parent: [r27296]

Child: [r27298]

changed	/trunk/test_suite/shared_data/diffusion_tensor/ellipsoid/uniform.pdb
changed	/trunk/test_suite/shared_data/diffusion_tensor/generate_data.py
changed	/trunk/test_suite/shared_data/diffusion_tensor/sphere/uniform.pdb
changed	/trunk/test_suite/shared_data/diffusion_tensor/spheroid/uniform.pdb

relax SVN archive

Molecular dynamics by NMR data analysis

Commit [r27297] Maximize Restore History

/trunk/test_suite/shared_data/diffusion_tensor/ellipsoid/uniform.pdb Diff Switch to side-by-side view

/trunk/test_suite/shared_data/diffusion_tensor/generate_data.py Diff Switch to side-by-side view

/trunk/test_suite/shared_data/diffusion_tensor/sphere/uniform.pdb Diff Switch to side-by-side view

/trunk/test_suite/shared_data/diffusion_tensor/spheroid/uniform.pdb Diff Switch to side-by-side view