relax SVN archive

svn+ssh://bugman@.../svn/relax/branches/frame_order_cleanup

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r23616 | bugman | 2014-06-03 11:16:38 +0200 (Tue, 03 Jun 2014) | 6 lines

Created a new CaM frame order test data set.

This is for the rotor model with a very small torsion angle of 1 degree, and will be used as a
comparison to the rigid model and for testing the performance of the rotor model for an edge case.
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r23617 | bugman | 2014-06-03 11:18:44 +0200 (Tue, 03 Jun 2014) | 7 lines

Updated the frame order representations in all of the frame_order.py scripts for the CaM test data.

All PDB files are now gzipped to save space, the old pymol.cone_pdb user function calls replaced
with pymol.frame_order, and an average domain PDB file for the exact solution is now created in all
cases.
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r23618 | bugman | 2014-06-03 11:20:51 +0200 (Tue, 03 Jun 2014) | 3 lines

The minimisation constraints are now turned on for all CaM test data frame_order.py optimisation scripts.
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r23619 | bugman | 2014-06-03 11:24:59 +0200 (Tue, 03 Jun 2014) | 6 lines

Updated the rotor CaM test data frame_order.py script for the parameter reduction.

The rotor axis {theta, phi} polar angles have been replaced by the single axis alpha angle. This
now matches the script for the 2nd rotor model.
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r23620 | bugman | 2014-06-03 11:26:59 +0200 (Tue, 03 Jun 2014) | 3 lines

Fix for a fatal typo in r23618.
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r23621 | bugman | 2014-06-03 11:47:09 +0200 (Tue, 03 Jun 2014) | 7 lines

Updated the parameters in all of the frame_order.py scripts for the CaM test data.

The parameters are now specified at the top of the script as variables. All scripts now handle the
change to the translation + CoM rotation for the average domain position rather than having a pure
rotation about a fixed pivot, which is no longer supported.
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r23622 | bugman | 2014-06-03 11:49:00 +0200 (Tue, 03 Jun 2014) | 3 lines

Fix for a missing import in the isotropic cone CaM test data frame_order.py scripts.
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