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SVN archive Commit Log


Commit Date  
[r15081] by bugman

The reduced tensors from the frame order analysis are now correctly stored.

2011-12-12 13:39:37 Tree
[r15080] by bugman

Updated the rigid frame order test data scripts and output files for the new design.

2011-12-12 13:33:35 Tree
[r15079] by bugman

Fixes for the frame order Monte Carlo simulations.

The Euler angle errors are now properly calculated as the simulation values are wrapped +/- pi
around the fitted value, rather than between 0 and 2pi. The proper tensors are now also used for
the creation of the simulation data.

2011-12-12 13:06:11 Tree
[r15078] by bugman

Redesigned the _minimise_setup_tensors() method to handle the new frame order input data.

2011-12-12 11:03:12 Tree
[r15077] by bugman

Fix for the frame order base loop - only spins for the moving domain are now looped over.

2011-12-12 10:56:43 Tree
[r15076] by bugman

Added the ability for setting up MC simulations with the new frame order input data.

This includes randomised RDCs and PCSs as well as randomised full alignment tensor components. The
tensor components adds an additional error which contributes to the real fitting error.

2011-12-12 10:45:36 Tree
[r15075] by bugman

Converted the rigid frame order model target function to use raw RDC and PCS data.

2011-12-09 17:05:15 Tree
[r15074] by bugman

The pivot point is now disabled for the rigid frame order model when PCS values are used.

2011-12-09 17:04:18 Tree
[r15073] by bugman

Updated the 2nd rotor test model optimisation script to use both RDCs and PCSs.

2011-12-09 13:43:24 Tree
[r15072] by bugman

The frame order analysis rotor model works again for solely RDC data.

2011-12-09 13:09:28 Tree
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