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SVN archive Commit Log


Commit Date  
[r15114] by bugman

Another change in the cone PDB file for the frame order models.

This affects all models.

2011-12-29 15:23:52 Tree
[r15113] by bugman

Updated the pymol.cone_pdb() user function for the change to the cone PDB file.

2011-12-29 15:14:26 Tree
[r15112] by bugman

Changed the design of the cone PDB object for the frame order models.

The change affects the models which consist of the full motional eigenframe.

2011-12-29 15:10:41 Tree
[r15111] by bugman

Fixes for all of the frame order target functions which use the Scipy quadratic numerical integration.

2011-12-29 14:21:22 Tree
[r15110] by bugman

Some fixes for the pseudo-ellipse frame order target functions.

2011-12-28 15:42:06 Tree
[r15109] by bugman

Fix for many of the frame order target functions.

The Rx2_eigen matrix is a local, not class variable.

2011-12-22 15:14:40 Tree
[r15108] by bugman

Created the pseudo-ellipse frame order test model data.

2011-12-21 09:06:21 Tree
[r15107] by bugman

The Monte Carlo integration flag is now stored at cdp.mcint and is not set for the rotor model.

This allows the method to be programmatically changed.

2011-12-20 10:37:03 Tree
[r15106] by bugman

A few small bug fixes for the old quadratic integration target functions.

2011-12-19 18:12:20 Tree
[r15105] by bugman

Target and auxiliary functions are now available for both quadratic and Monte Carlo integration.

This can be set via the mcint flag to the maths_fns.frame_order initialisation code. In some cases
quadratic integration is faster or better, whereas in others the rough Monte Carlo technique is
better.

2011-12-19 17:58:04 Tree
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