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SVN archive Commit Log


Commit Date  
[r9168] by bugman

Renamed theta to theta cone (again due to the reversion).

2009-07-01 14:08:46 Tree
[r9167] by bugman

Reverted r9128 to r9133, the elimination of a Euler angle (maybe only temporarily).

The command used was:
svn merge -r9134:9127 .

2009-07-01 11:05:09 Tree
[r9166] by bugman

Bug fix for the cone PDB generation.

If there were more than 1000 protons, the PDB file was corrupted by the proton name being too long.

2009-06-30 09:43:31 Tree
[r9165] by bugman

Bug fix for frame_order.cone_pdb() for when no MC sims exist.

2009-06-30 09:24:12 Tree
[r9164] by bugman

Added checks for the presence of the data structures necessary for frame_order.cone_pdb().

2009-06-30 09:21:49 Tree
[r9163] by bugman

Expansion of frame order to both the forward and reverse rotations.

reduce_alignment_tensor() was renamed to reduce_alignment_tensor_reverse(), and the new function
reduce_alignment_tensor() added.

2009-06-29 08:25:13 Tree
[r9162] by bugman

Wrote the calculate() method for calculating the chi-squared value for the current parameters.

2009-06-29 08:24:03 Tree
[r9161] by bugman

The user can now set the number of increments used to generate the cone PDB.

2009-06-25 14:46:40 Tree
[r9160] by bugman

Made the cone_pdb() function less specific for the N-state model and added SIM as an axis to decorate.

2009-06-25 14:41:25 Tree
[r9159] by bugman

Renamed the axis atom from 'Axe' to 'Axis'.

2009-06-25 14:37:03 Tree
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