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SVN archive Commit Log


Commit Date  
[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
[r18622] by bugman

Elimination of all of the multi-processor code from the frame order target functions.

At no point did the parallelisation overcome the problem of huge amounts of data transfer, making
all multi-processor attempts run slower than the single-processor.

2013-03-04 16:51:03 Tree
[r18621] by bugman

Import fixes and clean ups for many of the frame order auxiliary functions.

2013-03-04 16:21:10 Tree
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