Commit | Date | |
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[r27316]
by
bugman
Fix for the sequence alignment for assembling atomic coordinates. This caused the Structure.test_superimpose_fit_to_mean system test to fail. The problem was in the |
2015-01-26 17:29:06 | Tree |
[r27315]
by
bugman
Docstring update for the pipe_control.structure.main.assemble_coordinates() function. This is for the algorithm argument which can now be set to None. |
2015-01-26 16:46:13 | Tree |
[r27314]
by
bugman
Changed the gap opening penalty to 10 in the N-state model structure_align.py system test script. |
2015-01-26 16:45:27 | Tree |
[r27313]
by
bugman
The pairwise sequence alignment is now active in the structure.align user function. This is implemented in the lib.structure.internal.coordinates.assemble_coord_array() function for The atomic coordinate assembly logic has been completely changed. Instead of grouping atomic The assemble_coord_array() function will also handle the algorithm argument set to None and assume A new function, common_residues() has been created as a work-around for not having a multiple The logic for skipping missing atoms remains in place, but it now operates on the residue rather |
2015-01-26 16:44:46 | Tree |
[r27312]
by
bugman
Updates for some of the Structure.test_create_diff_tensor_pdb_* system tests. This includes Structure.test_create_diff_tensor_pdb_ellipsoid, |
2015-01-26 15:52:56 | Tree |
[r27311]
by
bugman
Reintroduced the simulated PDB truncation into the artificial diffusion tensor test suite data. This is different to the previous implementation which was deleted recently. It now simulates the |
2015-01-26 15:10:14 | Tree |
[r27310]
by
bugman
Python 3 fix for the generate_data.py diffusion tensor to relaxation data creation script. The string.upper() function no longer exists. |
2015-01-26 14:22:43 | Tree |
[r27309]
by
bugman
Modified the generate_data.py diffusion tensor to relaxation data creation script. The NH vectors are no longer truncated to match the PDB. |
2015-01-26 14:22:12 | Tree |
[r27308]
by
bugman
Python 3 fix for the lib.sequence_alignment.align_protein module. The string.upper() function no longer exists. |
2015-01-26 14:20:09 | Tree |
[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 |