Commit | Date | |
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[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 |
[r27295]
by
bugman
Another update for the artificial diffusion tensor test suite data. The number of increments on the sphere has been increased from 5 to 6, to make the vector |
2015-01-26 09:50:14 | Tree |
[r27294]
by
bugman
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 |
2015-01-26 09:47:26 | Tree |
[r27293]
by
bugman
Modified the gap penalty arguments for the structure.align user function. These now must always be supplied, as None is not handled by the backend |
2015-01-23 16:49:29 | Tree |
[r27292]
by
bugman
More redirects for the relax HTML manual at http://www.nmr-relax.com/manual/index.html. This is required as the latex2html program used to build the manual has been modified to not This is for http://www.nmr-relax.com/manual/The_M61_skew_2_site_fast_exchange_R1_rho_model.html. |
2015-01-23 16:27:30 | Tree |