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Commit Date  
[r27307] by bugman

Python 3 fix for the lib.sequence module.

The string.upper() function no longer exists.

2015-01-26 14:19:18 Tree
[r27306] by bugman

Updated the Structure.test_align_molecules system test for the changed PDB structures.

The test_suite/shared_data/diffusion_tensor/spheroid/uniform.pdb file now has more residues, and the
atomic positions are different.

2015-01-26 14:04:12 Tree
[r27305] by bugman

Updated the Structure.test_align system testt for the changed PDB structures.

The test_suite/shared_data/diffusion_tensor/spheroid/uniform.pdb file now has more residues, and the
atomic positions are different.

2015-01-26 14:03:00 Tree
[r27304] by bugman

Updated the Structure.test_delete_atom system test for the changed PDB structures.

The test_suite/shared_data/diffusion_tensor/spheroid/uniform.pdb file now has more residues, and the
atomic positions are different.

2015-01-26 13:58:55 Tree
[r27303] by bugman

Updates for the Structure.test_create_diff_tensor_pdb_ellipsoid system test.

The PDB checking has been updated for the new data.

2015-01-26 13:48:45 Tree
[r27302] by bugman

Updates for the Structure.test_create_diff_tensor_pdb_oblate system test.

The test now uses the spheroid synthetic relaxation data rather than the ellipsoid data, and the PDB
checking has been updated for the new data. The oblate tensor is now forced in the system test
script.

2015-01-26 13:42:15 Tree
[r27301] by bugman

Updates for the Structure.test_create_diff_tensor_pdb_prolate system test.

The test now uses the spheroid synthetic relaxation data rather than the ellipsoid data, and the PDB
checking has been updated for the new data.

2015-01-26 13:33:32 Tree
[r27300] by bugman

Updates for the Structure.test_create_diff_tensor_pdb_sphere system test.

The test now uses the sphere synthetic relaxation data rather than the ellipsoid data, and the PDB
checking has been updated for the new data.

2015-01-26 13:25:42 Tree
[r27299] by bugman

Bug fix for the structure.read_pdb user function parsing of CONECT records.

CONECT records pointing to ATOM records were not being read by the user function. As ATOM records
should not require CONECT records by their definition, this is only a minor problem affecting
synthetic edge cases.

2015-01-26 10:45:40 Tree
[r27298] by bugman

Reintroduced the CONECT PDB records into the artificial diffusion tensor test suite data.

The uniform vector distributions have overlapping vectors. This causes the internal structural
object atom connection determining algorithm to fail, as this is distance-based rather than using
the PDB amino acid definitions for now.

2015-01-26 10:29:38 Tree
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