Commit | Date | |
---|---|---|
[r27087]
by
bugman
Fixes for the structure.superimpose and structure.align user functions. The fit_to_mean() and fit_to_first() functions of lib.structure.superimpose where being incorrectly |
2014-12-11 10:49:26 | Tree |
[r27086]
by
bugman
Modified the Structure.test_bug_22070_structure_superimpose_after_deletion system test. This now calls the structure.align user function after calling the structure.superimpose user |
2014-12-11 10:46:04 | Tree |
[r27085]
by
bugman
Documentation fix for the assemble_coord_array() function. The return values for lib.structure.internal.coordinates.assemble_coord_array() were incorrectly |
2014-12-11 10:42:40 | Tree |
[r27084]
by
bugman
Converted the structure.superimpose user function to the new pipes/models/molecules/atom_id design. The user function arguments have not changed, however the backend now uses the new |
2014-12-11 10:37:33 | Tree |
[r27083]
by
bugman
Created the internal structural object model_list() method. This is to simplify the assembly of a list of all current models in the structural object. |
2014-12-11 10:34:24 | Tree |
[r27082]
by
bugman
Converted the structure.rmsd user function to the new pipes/models/molecules/atom_id design. This allows the RMSD calculation to work on atomic coordinates from different data pipes, different The Structure.test_rmsd_molecules system test has been updated for the user function argument |
2014-12-11 10:20:03 | Tree |
[r27081]
by
bugman
Docstring spelling fixes for the steady-state NOE and relaxation curve-fitting auto-analyses. |
2014-12-11 10:03:54 | Tree |
[r27080]
by
bugman
Updated the Structure.test_displacement_molecules system test. This is for the changes to the structure.displacement user function. |
2014-12-11 09:55:53 | Tree |
[r27079]
by
bugman
Another refinement for the structure ID strings returned by the assemble_coord_array() function. |
2014-12-11 09:55:24 | Tree |
[r27078]
by
bugman
Converted the structure.displacement user function to the new pipes/models/molecules/atom_id design. This allows the displacements to be calculated between atomic coordinates from different data pipes, The Structure.test_displacement system test has been updated for the user function argument changes. |
2014-12-11 09:50:16 | Tree |