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SVN archive Commit Log


Commit Date  
[r14900] by bugman

Calculated the pure RDC tensors for the free rotor CaM frame order model.

2011-10-24 13:31:02 Tree
[r14899] by bugman

Back calculated the RDC and PCS test data from the CaM free rotor frame order model.

2011-10-24 13:10:52 Tree
[r14898] by bugman

The structure.write_pdb user function can now create compressed (bzip2 or gzip) PDB files.

2011-10-24 13:01:47 Tree
[r14897] by bugman

The structure.rotate user function can now operate in individual structural models.

The model keyword argument has been added to allow this.

2011-10-24 13:01:05 Tree
[r14896] by bugman

Created a PDB distribution of CaM orientations for the free rotor frame order model.

This is a uniform set of rotations about the pivot-CoM axis.

2011-10-24 12:58:21 Tree
[r14895] by bugman

Created a data directory for the free rotor CaM test model.

2011-10-24 10:25:32 Tree
[r14894] by bugman

Modified the rigid frame order CaM test model script to properly test the PyMOL representation.

This is not a system test, but is to be used manually and visually to check that the PyMOL
representation created by relax of the average position, eigenframe, and cone is correct!

2011-10-24 10:24:51 Tree
[r14893] by bugman

Created the Frame_order.test_cam_rigid system test and optimisation script.

2011-10-24 10:11:07 Tree
[r14892] by bugman

Added a script for optimising the rigid frame order CaM test data.

The resultant average position PDB file and relax save file have also been added for reference.

2011-10-24 09:59:51 Tree
[r14891] by bugman

Small fix for the tensor fitting script, and addition of the log file and output tensors.

2011-10-24 07:35:29 Tree
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