Commit | Date | |
---|---|---|
2011-11-08 10:45:56 | Tree | |
[r14984]
by
bugman
Fix for the iso_cone_free_rotor.py system test script. The average position alpha Euler angle is not defined in this model. |
2011-11-08 10:45:36 | Tree |
[r14983]
by
bugman
Fixes for the free rotor frame order model system test scripts. The average position alpha Euler angle is not defined in these models! |
2011-11-08 10:23:48 | Tree |
2011-11-08 10:20:57 | Tree | |
[r14981]
by
bugman
Added Monte Carlo simulations to all the frame order model optimisation test scripts. |
2011-11-08 10:20:17 | Tree |
[r14980]
by
bugman
Created a second iso cone, free rotor frame order model - this time with a tilted axis. The centre of the distribution is an axis tilted 15 degrees from the pivot-CoM vector. |
2011-11-08 10:13:25 | Tree |
[r14979]
by
bugman
Fix for the pymol.cone_pdb user function for frame order models with no alpha average pos angle. This is specifically for the isotropic cone, free rotor model. But other models might also be |
2011-11-07 15:51:14 | Tree |
2011-11-07 15:23:05 | Tree | |
[r14977]
by
bugman
Changes for the isotropic cone, free rotor frame order test data. The distribution of structures consists of 5000 rather than 500 models now, so the PDB file is no |
2011-11-07 15:22:17 | Tree |
[r14976]
by
bugman
Fixes for the Monte Carlo simulations of the iso cone, free rotor frame order model. The derivative cone_theta parameter (calculated from cone_s1) now is handled in the Monte Carlo |
2011-11-07 14:38:34 | Tree |