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SVN archive Commit Log


Commit Date  
[r18632] by bugman

The frame order numerical integration printouts are now suppressed for the rigid model.

This is because numerical integration is not used for this model.

2013-03-05 10:35:22 Tree
[r18631] by bugman

The frame order optimisation can now handle both types of pivot for the average position rotation.

This allows the frame_order.average_position user function to be fully active.

2013-03-05 10:33:43 Tree
[r18630] by bugman

The frame order auto-analysis is now compatible with the translation to average domain position.

The custom grid search now sets the search over these x, y and z parameters to None.

2013-03-05 10:10:57 Tree
[r18629] by bugman

The grid search for the rigid model in the frame order auto-analysis now covers the translation.

2013-03-05 10:03:51 Tree
[r18628] by bugman

Fixes for the frame order displacement testing script in the test suite.

2013-03-05 09:48:56 Tree
[r18627] by bugman

Refactored frame_order.ave_pos_translate into the frame_order.average_position user function.

This is now used to set up all characteristics of the movement to the average domain position
including which pivot position to use for the rotation and if translation should be used.

2013-03-05 09:42:14 Tree
[r18626] by bugman

Created 8 frame order system tests for the rigid test molecule.

2013-03-04 18:21:38 Tree
[r18625] by bugman

Improvements to the frame order displacement test data script.

A relax log file has also been added from the running of the script.

2013-03-04 18:04:13 Tree
[r18624] by bugman

Converted the tensor rotation in the frame order target functions to be a forwards rotation.

This allows the RDC to match the PCS, in that the average domain position is moved by a forwards
rotation and forwards translation.

2013-03-04 17:54:32 Tree
[r18623] by bugman

Fixes for the PCS with translations and rotations.

The reverse rotations previously used have been converted to forwards rotations. This makes more
sense from the perspective of moving the original structures to the average position.

2013-03-04 17:46:51 Tree
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