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Commit Date  
[r23818] by tlinnet

Started converting profiling script to DPL94.

Task #7807 (https://gna.org/task/index.php?7807): Speed-up of dispersion models for Clustered analysis.

2014-06-11 08:08:02 Tree
[r23817] by tlinnet

Copied profiling script for CPMG model CR72 to R1rho DPL94 model.

The framework of the script will be the same, but the data a little different.

Task #7807 (https://gna.org/task/index.php?7807): Speed-up of dispersion models for Clustered analysis.

2014-06-11 06:46:00 Tree
[r23816] by tlinnet

Comment out the sys.exit(), which would make the code fail for wrong calculation of dw.

Task #7807 (https://gna.org/task/index.php?7807): Speed-up of dispersion models for Clustered analysis.

2014-06-11 06:40:40 Tree
[r23815] by tlinnet

Switched to use self.ei, self.si, self.mi, self.oi, self.di.

This is for better reading of code.

Task #7807 (https://gna.org/task/index.php?7807): Speed-up of dispersion models for Clustered analysis.

2014-06-11 06:40:38 Tree
[r23814] by tlinnet

Initial try to reshape dw faster.

Task #7807 (https://gna.org/task/index.php?7807): Speed-up of dispersion models for Clustered analysis.

2014-06-11 06:28:27 Tree
[r23813] by tlinnet

Made iinitialisation structures for dw.

Task #7807 (https://gna.org/task/index.php?7807): Speed-up of dispersion models for Clustered analysis.

2014-06-11 06:28:25 Tree
[r23812] by bugman

Fixes for the rotor object created by the frame_order.pdb_model user function.

The rotor is now also shown for the free rotor pseudo-ellipse, despite it being a useless model, and
the propeller blades are no longer staggered for all the free rotor models so that two circles are
no longer produced.

2014-06-11 06:21:48 Tree
[r23811] by bugman

Added a script for recreating the frame order PDB representation and displaying it in PyMOL.

This is for the optimised results.

2014-06-11 06:19:22 Tree
[r23810] by bugman

Added the full optimisation results for the free rotor frame order model with missing data.

This is for the CaM test data using the new frame_order.py optimisation script.

2014-06-11 06:10:02 Tree
[r23809] by bugman

Removed a PDB file from the free rotor CaM frame order test data directory.

This is now present as a *.gz file, so the uncompressed file can go.

2014-06-11 06:08:17 Tree
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