Commit | Date | |
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[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 |
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 |
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 |
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 |
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 |
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 |
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 |
2015-01-26 10:29:38 | Tree |
[r27297]
by
bugman
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 |
2015-01-26 10:26:15 | Tree |
[r27296]
by
bugman
Bug fix for the printouts from the relax_data.read user function. This problem was introduced in the last relax release (at r26588). The problem is that the spin ID |
2015-01-26 10:06:30 | Tree |