relax SVN archive

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

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.

Fix for a fatal typo in r23618.

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The rotor axis {theta, phi} polar angles have been replaced by the single axis alpha angle.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.

The minimisation constraints are now turned on for all CaM test data frame_order.py optimisation scripts.

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.

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.

Proper edge case handling and slight speed up of the frame order PCS integration functions.

The case whereby no Sobol' points in the numerical integration lie within the motional distribution
is now caught and the rotation matrix set to the motional eigenframe to simulate the rigid state.
As the code for averaging the PCS was changed, it was also simplified by removing an unnecessary
loop over all spins. This should speed up the PCS integration by a tiny amount.

Increased the grid search bounds for the frame order average domain translation.

Instead of being a 10 Angstrom box centred at {0, 0, 0}, now the translation search has been
increased to a 100 Angstrom box.

Optimisation of the rotor model to the rigid CaM frame order test data.

The optimisation script and all results files have been added to the repository.