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SVN archive Commit Log


Commit Date  
[r14990] by bugman

The generic_fns.structure.mass.centre_of_mass() function now accepts the model number arg.

This allows specific models to be isolated.

2011-11-09 10:45:33 Tree
[r14989] by bugman

The generic_fns.structure.mass.centre_of_mass() function now accepts the atom ID arg.

This allows the centre of mass of subsets of the structure to be calculated.

2011-11-09 10:38:56 Tree
[r14988] by bugman

Fix for the negative cone PDB representation in the frame order theory.

2011-11-08 18:05:24 Tree
[r14987] by bugman

Fixes for the negative cone creation in the frame_order.cone_pdb user function.

2011-11-08 16:23:57 Tree
[r14986] by bugman

Created the Frame_order.test_cam_iso_cone_free_rotor2 system test.

This is the isotropic cone, free rotor frame order model with a tilted central axis.

2011-11-08 11:06:30 Tree
[r14985] by bugman

Implemented the Frame_order.test_cam_iso_cone_free_rotor system test.

2011-11-08 10:45:56 Tree
[r14984] by bugman

Fix for the iso_cone_free_rotor.py system test script.

The average position alpha Euler angle is not defined in this model.

2011-11-08 10:45:36 Tree
[r14983] by bugman

Fixes for the free rotor frame order model system test scripts.

The average position alpha Euler angle is not defined in these models!

2011-11-08 10:23:48 Tree
[r14982] by bugman

Added a system test script for the iso cone, free rotor frame order test data.

2011-11-08 10:20:57 Tree
[r14981] by bugman

Added Monte Carlo simulations to all the frame order model optimisation test scripts.

2011-11-08 10:20:17 Tree
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