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SVN archive Commit Log


Commit Date  
[r11310] by bugman

Added a system test to back-calculated RDCs from a PCS derived alignment tensor.

2010-07-15 16:38:18 Tree
[r11309] by bugman

The RDC and PCS back-calculation user fns now add the alignment ID to the RDC and PCS if absent.

Again this is to allow both data types to be back-calculated in the absence of measured data.

2010-07-15 16:34:04 Tree
[r11308] by bugman

Small fixes and improvements to the rdc.back_calc() user function.

Align IDs are being used instead of RDC IDs so RDCs can be back-calculated even if measured RDCs are
not present. And spin info is also being checked for better error reporting to the user.

2010-07-15 16:32:33 Tree
[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
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