Commit | Date | |
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[r24483]
by
bugman
Created the new specific_analyses.frame_order.variables module. This currently contains variables for all of the frame order model names, as well as various lists |
2014-07-09 08:03:17 | Tree |
[r24482]
by
bugman
Numpy <= 1.6 fixes for the frame order PCS code. The numpy.linalg.norm function does not have an axis argument in numpy 1.6, therefore the |
2014-07-08 15:07:24 | Tree |
[r24481]
by
bugman
Added the full optimisation results for the rigid frame order model. This is for the CaM test data using the new frame_order.py optimisation script. |
2014-07-08 13:57:43 | Tree |
[r24480]
by
bugman
Speed up of the PCS component of the rigid frame order model. The lanthanide to atom vectors are now being calculated outside of the alignment tensor and spin |
2014-07-08 12:21:23 | Tree |
[r24479]
by
bugman
Changed the grid search pivot displacement frame order parameter. Instead of searching from 0 to 50 Angstroms, the search is now from 10 to 50. This is to avoid the |
2014-07-08 10:17:48 | Tree |
[r24478]
by
bugman
Added model support for the rotor geometric object. This is the structural object used in the frame order analysis to create PDB representations of |
2014-07-08 10:08:28 | Tree |
2014-07-08 09:36:31 | Tree | |
[r24476]
by
bugman
Added the full optimisation results for the large angle double rotor frame order model. This is for the CaM test data using the new frame_order.py optimisation script. |
2014-07-08 09:26:46 | Tree |
[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 |