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SVN archive Commit Log


Commit Date  
[r12485] by bugman

The isotope number is now being guessed from the atom name if not given in the BMRB file.

2011-02-01 15:26:23 Tree
[r12484] by bugman

The molecule number from EntityID is now being used to fill in the model-free data.

This is necessary for multiple molecule entries in BMRB files.

2011-02-01 14:51:49 Tree
[r12483] by bugman

The Python round() function is now used to create the MHz frequency label for the relaxation data.

2011-02-01 13:43:41 Tree
[r12482] by bugman

Expanded the conversion of Modelfree4 model numbers to include all of the relax model numbers as well.

2011-02-01 13:20:22 Tree
[r12481] by bugman

Added a catch to _bmrb_model_map() for Modelfree4 model names in the BMRB files.

2011-02-01 10:01:22 Tree
[r12480] by bugman

Fixed the print out of a RelaxError and Warning for the model-free model from the BMRB file.

2011-02-01 09:53:32 Tree
[r12479] by bugman

Fixed a RelaxError in _model_map() so that a model-free model of None will raise the correct error.

2011-02-01 09:50:44 Tree
[r12478] by bugman

Model-free saveframes without any data are now skipped.

2011-01-31 18:57:00 Tree
[r12477] by bugman

The BMRB generate_sequence() function can now handle args of None.

2011-01-31 18:52:37 Tree
[r12476] by bugman

The BMRB generate_sequence() function can now handle if no molecule name is given.

2011-01-31 18:39:54 Tree
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