relax SVN archive

Molecular dynamics by NMR data analysis

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SVN archive Commit Log

Commit	Date
[r14989] by bugman The generic_fns.structure.mass.centre_of_mass() function now accepts the atom ID arg. This allows the centre of mass of subsets of the structure to be calculated.	2011-11-09 10:38:56	Tree
[r14988] by bugman Fix for the negative cone PDB representation in the frame order theory.	2011-11-08 18:05:24	Tree
[r14987] by bugman Fixes for the negative cone creation in the frame_order.cone_pdb user function.	2011-11-08 16:23:57	Tree
[r14986] by bugman Created the Frame_order.test_cam_iso_cone_free_rotor2 system test. This is the isotropic cone, free rotor frame order model with a tilted central axis.	2011-11-08 11:06:30	Tree
[r14985] by bugman Implemented the Frame_order.test_cam_iso_cone_free_rotor system test.	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
[r14982] by bugman Added a system test script for the iso cone, free rotor frame order test data.	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

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