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SVN archive Commit Log


Commit Date  
[r7673] by bugman

The Modelfree4 system test using the OMP data now uses the truncated and more standard PDB file.

2008-10-12 17:28:06 Tree
[r7672] by bugman

Created a truncated OMP PDB file with only NH vectors of the first 15 residues.

The molmol residue name syntax has also been fixed to allow Modelfree4 to be happy.

2008-10-12 17:26:35 Tree
[r7671] by bugman

Fix for the test_palmer_omp() system test.

The PDB file has no models in it!

2008-10-12 17:22:42 Tree
[r7670] by bugman

Bug fix for the create() method. Deselected spins should be skipped.

2008-10-12 17:03:26 Tree
[r7669] by bugman

Created a system test for Modelfree4 with the OMP data.

This runs the palmer_omp.py system test script.

2008-10-12 17:00:13 Tree
[r7668] by bugman

Removed the reading of the PDB file and setting of a spheroid tensor.

This will be tested in a second system test.

2008-10-12 16:58:28 Tree
[r7667] by bugman

Created a new script to test out the handling of Modelfree4 with PDB files and spheroid diffusion.

2008-10-12 16:57:33 Tree
[r7666] by bugman

Fix for the execute() method when a PDB file is being used.

2008-10-12 16:46:57 Tree
[r7665] by bugman

Modified the Modelfree4 system test to use a PDB file and spheroid diffusion tensor.

2008-10-12 16:46:27 Tree
[r7664] by bugman

More fixes for create_run().

2008-10-12 16:45:21 Tree
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