Commit | Date | |
---|---|---|
[r14914]
by
bugman
Expanded the Structure.test_displacement() system test to test the XML save files. |
2011-10-25 12:58:38 | Tree |
[r14913]
by
bugman
The structural model displacement objects are now stored in the relax XML save files. |
2011-10-25 12:43:10 | Tree |
[r14912]
by
bugman
Implemented the back end of the structure.displacement user function. This will still require some debugging, and the data objects will need to be stored in the XML save |
2011-10-25 12:20:22 | Tree |
[r14911]
by
bugman
Created the Structure.test_displacement() system test for checking the structure.displacement uf. |
2011-10-25 09:55:00 | Tree |
[r14910]
by
bugman
Added the atom_id arg to the new structure.displacement user function front end. This will be used to restrict the calculation to subsets of all atoms. |
2011-10-25 09:08:47 | Tree |
[r14909]
by
bugman
Created the front end for the new structure.displacement user function. This is used to calculate the rotational and translational displacement between two models. |
2011-10-25 09:02:49 | Tree |
[r14908]
by
bugman
Extended the N-state model analysis to allow a separate paramagnetic centre per state. |
2011-10-24 21:35:10 | Tree |
[r14907]
by
bugman
Bug fix for the pymol.cone_pdb user function for when there is no average domain position. This is necessary for the old 2-domain N-state model analysis type. |
2011-10-24 15:55:26 | Tree |
[r14906]
by
bugman
Bug fixes for the n_state_model.cone_pdb user function. The code was old and not functional any more. |
2011-10-24 15:52:47 | Tree |
[r14905]
by
bugman
Added checks for the n_state_model.cone_pdb user fn in the N_state_model.test_5_state_xz system test. |
2011-10-24 15:52:04 | Tree |