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SVN archive Commit Log


Commit Date  
[r12520] by bugman

The optimisation of Monte Carlo simulations no longer changes the Q factors and back calculated data.

There was a bug in which the back calculated RDCs and PCSs, as well as the Q factors were being
calculated for each Monte Carlo simulation but stored in the non-MC sim data structures. Therefore
after MC sims, the Q factor and back calculated data would be that of the last simulation!!!

2011-02-09 12:23:19 Tree
[r12519] by bugman

Added checks showing that Monte Carlo simulations in the N-state model modify the Q factors.

2011-02-09 12:20:35 Tree
[r12518] by bugman

Fix for the calls to RelaxError in the N-state model return_error() method.

2011-02-07 18:07:19 Tree
[r12517] by bugman

Fix for the N-state model error returning method for when errors are not present.

The spin_id variable was not defined.

2011-02-07 18:00:09 Tree
[r12516] by bugman

Fix for the sample label matching - this is only performed if the sample label is given.

2011-02-07 14:17:28 Tree
[r12515] by bugman

The sample conditions label is now being used to select the correct BMRB saveframes to read.

2011-02-07 14:05:54 Tree
[r12514] by bugman

Removed the unused index.html.

2011-02-04 09:36:32 Tree
[r12513] by bugman

Fix for the Rex scaling - the factor was incorrect!

2011-02-03 19:34:33 Tree
[r12512] by bugman

Square brackets and commas are now also removed from the BMRB molecule name.

2011-02-03 12:30:10 Tree
[r12511] by bugman

Fix for generic_fns.mol_res_spin.bmrb_read() for when no molecule name is present.

2011-02-03 12:03:58 Tree
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