Commit | Date | |
---|---|---|
[r23200]
by
bugman
Import cleanup for the frame order target functions. The Scipy quadratic integration functions for the PCS have been removed. |
2014-05-16 12:14:48 | Tree |
[r23199]
by
bugman
Deletion of half of the frame order target functions. All of the target functions using Scipy quadratic integration (which cause a frame order analysis to |
2014-05-16 12:12:07 | Tree |
[r23198]
by
bugman
Clean up of the frame order target function code. This matches the previous changes (r23197), the deletion of the frame_order.average_position user |
2014-05-16 11:44:31 | Tree |
[r23197]
by
bugman
Deletion of the frame_order.average_position user function and all of the associated backend code. This user function allowed the user to specify five different types of displacement to the average - A pure rotation, with no translation, about the pivot of the motion in the system. Now the last option will be the default and only option. This option is equivalent to the standard The other four are due to the history of the development of the theory. These limit the usefulness |
2014-05-16 08:45:40 | Tree |
[r23196]
by
bugman
Initialized merge tracking via "svnmerge" with revisions "1-23194" from |
2014-05-16 08:22:37 | Tree |
[r23195]
by
bugman
Creation of a branch for cleaning up the frame order analysis. As this analysis has been in development for many years, a lot of code that was developed for the |
2014-05-16 08:21:23 | Tree |
[r23194]
by
bugman
Modified the pivot point PDB representation script to include the shifted pivot. This is for the 2nd rotor model of CaM frame order in the test suite. |
2014-05-15 15:05:36 | Tree |
2014-05-15 14:58:03 | Tree | |
[r23192]
by
bugman
Added a relax script for creating a PDB representation of the original pivot point. This is for the 2nd rotor model of CaM frame order in the test suite. The resultant PDB file has |
2014-05-15 14:41:13 | Tree |
[r23191]
by
bugman
Modified the 2nd rotor model of CaM frame order optimisation script. The frame_order.pdb_model user function is now used to create a PDB representation of the rotor In addition, the pymol.cone_pdb user function has been replaced by the pymol.frame_order user |
2014-05-15 13:54:38 | Tree |