Commit | Date | |
---|---|---|
[r23624]
by
bugman
The frame_order.num_int_pts user function now throws a RelaxWarning if not enough points are used. |
2014-06-03 16:09:00 | Tree |
[r23623]
by
bugman
Fix for the relax start up detection of missing Python packages. The dep_check module is now imported first, as it used to be. This is required to check if all |
2014-06-03 14:30:06 | Tree |
[r23622]
by
bugman
Fix for a missing import in the isotropic cone CaM test data frame_order.py scripts. |
2014-06-03 09:49:00 | Tree |
[r23621]
by
bugman
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 |
2014-06-03 09:47:09 | Tree |
2014-06-03 09:26:59 | Tree | |
[r23619]
by
bugman
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 The rotor axis {theta, phi} polar angles have been replaced by the single axis alpha angle.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 |
2014-06-03 09:24:59 | Tree |
[r23618]
by
bugman
The minimisation constraints are now turned on for all CaM test data frame_order.py optimisation scripts. |
2014-06-03 09:20:51 | Tree |
[r23617]
by
bugman
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 |
2014-06-03 09:18:44 | Tree |
[r23616]
by
bugman
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 |
2014-06-03 09:16:38 | Tree |
[r23615]
by
bugman
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 |
2014-06-03 07:16:09 | Tree |