Commit | Date | |
---|---|---|
[r22064]
by
bugman
Updated for the rotation() method of all the CaM frame order test data generation scripts. The motion_index argument is now accepted by all of the methods to allow the base script to execute |
2014-01-29 15:21:58 | Tree |
[r22063]
by
bugman
Created a distribution of structures for the CaM double rotor frame order model. This is only for a distribution of 100 structures, to keep the file size to a reasonable size. A |
2014-01-29 10:48:16 | Tree |
[r22062]
by
bugman
Created the RDC and PCS back calculated test data for the CaM double rotor frame order model. This consists of a uniform distribution over both rotors, the first centred in the C-domain and |
2014-01-29 10:33:18 | Tree |
[r22061]
by
bugman
The save file created by the frame order test data generation base script can now be bypassed. When loading 1,000,000 PDB structures as models into the relax data store, the RAM usage can go over |
2014-01-29 08:08:33 | Tree |
[r22060]
by
bugman
Removed a duplicated state.save call in the frame order test data generation base script. |
2014-01-28 17:27:35 | Tree |
[r22059]
by
bugman
Introduced the ROT_FILE flag to the frame order test data generation base script. This allows the 'rotations.bz2' file creation to be skipped, if set to False. This file takes time |
2014-01-28 10:30:02 | Tree |
[r22058]
by
bugman
The frame order test data generation base script now outputs the frame order matrix to 8 places. |
2014-01-28 10:25:13 | Tree |
[r22057]
by
bugman
Fix for the frame order test data generation base script for when the distribution of structures is not created. |
2014-01-28 10:24:33 | Tree |
[r22056]
by
bugman
Fixes for the calculation of the frame order matrix in the test data generation base script. The matrix generation now handles multiple modes of motion correctly. The total rotation matrix is |
2014-01-28 10:23:50 | Tree |
[r22055]
by
bugman
The frame order matrix printing function can now output the matrix to any precision. The lib.frame_order.format.print_frame_order_2nd_degree() function now accepts the 'places' argument |
2014-01-28 10:20:07 | Tree |