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SVN archive Commit Log


Commit Date  
[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
from the pivot-CoM axis.

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
[r14936] by bugman

Added the translate method to the structural API.

2011-10-26 14:57:34 Tree
[r14935] by bugman

Synchronised the atom_loop() method args in the structural API.

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
[r14932] by bugman

Small fix for the new Structure.test_superimpose_fit_to_mean2 system test.

2011-10-26 13:52:36 Tree
[r14931] by bugman

Created the structure.translate user function front end.

2011-10-26 13:50:58 Tree
[r14930] by bugman

Created a second system test for the structure.superimpose user function using 'fit to mean'.

This translates one model, superimposes it to the original, and checks to see if the structures
shift correctly.

2011-10-26 13:47:53 Tree
[r14929] by bugman

Implemented the 'fit to mean' algorithm for the structure.superimpose user function.

2011-10-26 13:43:14 Tree
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