Commit | Date | |
---|---|---|
[r14942]
by
bugman
Slight changes to the pivot-CoM PDB representation for the frame order test data. |
2011-10-28 16:21:19 | Tree |
[r14941]
by
bugman
The internal structural object no longer requires the 'ATOM' PDB record for creating PDB files. This affects the structure.write_pdb user function. |
2011-10-28 14:12:15 | Tree |
[r14940]
by
bugman
Created the structure.add_atom user function. This simply exposes some of the functionality of the structural API to the user. The get_molecule() |
2011-10-28 14:10:16 | Tree |
[r14939]
by
bugman
Created the Frame_order.test_cam_free_rotor2 system test. This tests the free rotor frame order CaM test model where the axis is tilted from the pivot-CoM |
2011-10-27 10:48:01 | Tree |
[r14938]
by
bugman
Created a second test model for the free rotor frame order model. In this case, the C-domain does not rotate about the pivot-CoM axis, but an axis tilted 30 degrees |
2011-10-26 16:06:33 | Tree |
[r14937]
by
bugman
Fix for the structure.displacement user function. The kabsch() function now returns the pivot of the rotation as well. |
2011-10-26 15:28:40 | Tree |
2011-10-26 14:57:34 | Tree | |
2011-10-26 14:54:59 | Tree | |
[r14934]
by
bugman
Updated the generic_fns.structure package __all__ list to include the superimposition module. |
2011-10-26 14:52:12 | Tree |
[r14933]
by
bugman
Fix for the structure.translate user function front end. The back end already exists, so this is now functional. |
2011-10-26 13:54:58 | Tree |