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SVN archive Commit Log


Commit Date  
[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
[r9795] by bugman

Removed the artificial constraint for there being only 1 entity allowed.

2009-10-27 13:07:24 Tree
[r9794] by bugman

Added user variable checking to the full_analysis.py script.

This is in response to Tiago Pais's <tpais att itqb dot unl dot pt> post at
https://mail.gna.org/public/relax-users/2009-10/msg00009.html (Message-id:
<E45CDDF4A4E54B34A36BFBA62E6BFF20@...>).

2009-10-27 09:59:25 Tree
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