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SVN archive Commit Log


Commit Date  
[r9805] by bugman

Removed a test for duplicated data - data can be duplicated!!!

2009-10-27 14:57:41 Tree
[r9804] by bugman

An entity IDs fix for the general relaxation saveframe reading.

2009-10-27 14:56:39 Tree
[r9803] by bugman

Molecule names are converted to entity IDs and vice versa for BMRB writing and reading.

2009-10-27 14:52:18 Tree
[r9802] by bugman

Entity ID numbers are now supported throughout the relaxation data and model-free saveframes.

2009-10-27 14:46:54 Tree
[r9801] by bugman

The translate function now handles numpy arrays.

2009-10-27 14:29:50 Tree
[r9800] by bugman

Created the structure.get_pos() user function for extracting atomic positions.

2009-10-27 14:25:08 Tree
[r9799] by bugman

Fix for the frame order grid search.

2009-10-27 14:24:25 Tree
[r9798] by bugman

The entity ID tag is now present in the general relaxation saveframe.

2009-10-27 14:12:27 Tree
[r9797] by bugman

Missing relaxation data is now handled when creating the BMRB file.

2009-10-27 13:42:19 Tree
[r9796] by bugman

Relaxation values and errors of ? are now handled and converted to None.

2009-10-27 13:41:42 Tree
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