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SVN archive Commit Log


Commit Date  
[r11307] by bugman

The Ln3+ position optimisation system test has been sped up by decreasing the accuracy.

2010-07-15 15:23:28 Tree
[r11306] by bugman

Fix for the alignment tensor initialisation for when the ID is added to cdp.align_ids.

This was introduced in r11301. cdp.align_ids was not being checked if the align ID already exists.

2010-07-15 15:08:22 Tree
[r11305] by bugman

Added some unit tests for the pseudo-elliptic cosine function.

2010-07-15 13:46:58 Tree
[r11304] by bugman

Added a system test for the back-calculation of PCSs.

2010-07-15 13:46:30 Tree
[r11303] by bugman

Added a severely truncated PDB file for PCS back-calculation with ubiquitin.

2010-07-15 13:29:46 Tree
[r11302] by bugman

Wrote the pcs.back_calc() user function back end.

2010-07-15 13:26:35 Tree
[r11301] by bugman

Initialising and alignment tensor now adds the ID to the alignment ID list.

2010-07-15 13:26:00 Tree
[r11300] by bugman

Fix for the alignment tensor rotation matrix - it is now always in the right handed universe.

2010-07-15 11:39:35 Tree
[r11299] by bugman

Added a system test checking the conversion of alignment tensor to chi tensor.

2010-07-15 11:19:11 Tree
[r11298] by bugman

Major patch for integrating the GUI into the noe calculation.

This patch is from Michael Bieri (https://gna.org/users/michaelbieri) and is from file #9490
(https://gna.org/support/download.php?file_id=9490) attached to task #6847
(https://gna.org/task/?6847).

Changes include:
- output filename can be specified
- folder, where results files will be placed, can be specified
- label of hetero nucleus and proton of peak lists and pdb file can be selected
- sequence is read either by sequence file or pdb file
- removed white spaces and progress output.

2010-07-13 11:28:44 Tree
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