Commit | Date | |
---|---|---|
[r24475]
by
bugman
Simplified the PyMOL visualisation relax script created by the frame order auto-analysis. This now consists of a single pymol.frame_order user function call. The other pymol user function |
2014-07-07 16:20:15 | Tree |
[r24474]
by
bugman
Changed some of the default values for the frame order auto-analysis. The number of Sobol' quasi-random integration points were far too low to obtain any reasonable |
2014-07-07 14:57:24 | Tree |
[r24473]
by
bugman
Added support for the 'pivot_disp' frame order parameter to the grid search. This is required for the double rotor model. |
2014-07-07 14:28:29 | Tree |
2014-07-07 07:58:19 | Tree | |
[r24471]
by
bugman
Changed the CaM frame order test data superimposition values. Because the domains are now defined via the molecule name rather than the residue numbers, the All of the frame order optimisation scripts have been updated with the new rotation Euler angles and |
2014-07-07 07:34:02 | Tree |
[r24470]
by
bugman
The script for representing the frame order dynamics for the CaM test data has been updated. The domains of the system are now defined. |
2014-07-05 21:18:19 | Tree |
[r24469]
by
bugman
The CaM frame order test data optimisation scripts now save more state files. The state of the true dynamics and the fixed pivot optimisation results are now stored as well. |
2014-07-05 21:10:54 | Tree |
2014-07-05 18:51:40 | Tree | |
[r24467]
by
bugman
Updated the chi2 check for the large angle double rotor frame order system tests. This is needed for the eigenframe fix. |
2014-07-05 18:47:53 | Tree |
[r24466]
by
bugman
More fixes for the double rotor frame order system tests for the CaM synthetic data. The eigensystem was inverted. |
2014-07-05 18:46:51 | Tree |