Commit | Date | |
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[r27061]
by
bugman
Created the Structure.test_displacement_molecules system test. This will be used to implement the new molecules argument for the structure.displacement user |
2014-12-10 16:20:19 | Tree |
2014-12-10 16:07:08 | Tree | |
[r27059]
by
bugman
Implemented the new molecules argument for the structure.rmsd user function. This allows the RMSD between different molecules rather than different models to be calculated, |
2014-12-10 16:03:24 | Tree |
[r27058]
by
bugman
Created the Structure.test_rmsd_molecules system test. This will be used to implement a new molecules argument for the structure.rmsd user function so that |
2014-12-10 15:37:18 | Tree |
[r27057]
by
bugman
Implemented the new molecules argument for the structure.align user function. In addition to accepting the new argument, the user function backend has been redesigned for |
2014-12-10 14:56:46 | Tree |
[r27056]
by
bugman
Change to the Structure.test_align system test. The molecules argument for the structure.align user function has been changed to match the models |
2014-12-10 14:53:34 | Tree |
2014-12-10 13:12:18 | Tree | |
2014-12-10 13:11:11 | Tree | |
[r27053]
by
bugman
Modified the Structure.test_align_molecules system test. This now simultaneously checks both the pipes and molecules arguments to the structure.align user |
2014-12-10 13:05:33 | Tree |
[r27052]
by
bugman
Created the Structure.test_align_molecules system test. This will be used to extend the functionality of the structure.align user function to be able to |
2014-12-10 12:58:30 | Tree |