Menu

SVN archive Commit Log


Commit Date  
[r12529] by bugman

Missing model-free parameter error tags in BMRB files can now be handled.

2011-02-16 14:38:49 Tree
[r12528] by bugman

Simplification of the BMRB num_spins() function.

2011-02-15 17:11:21 Tree
[r12527] by bugman

All te model-free parameters in BMRB files which should be ts are now being converted.

2011-02-15 13:48:21 Tree
[r12526] by bugman

Fix for the num_spins() BMRB function - the keys are not always present.

2011-02-15 10:57:37 Tree
[r12525] by bugman

Better handling of missing data in the BMRB relaxation saveframes.

2011-02-15 10:48:51 Tree
[r12524] by bugman

The values are now properly scaled and values and errors are inverted to go from Tx to Rx values.

2011-02-15 08:13:40 Tree
[r12523] by bugman

Fixes for pack_data() to allow the errors to be a numpy array.

2011-02-15 08:00:39 Tree
[r12522] by bugman

The relaxation values and errors from the BMRB file are being converted from ms to s now.

2011-02-15 07:55:04 Tree
[r12521] by bugman

Removed a debugging print out.

2011-02-14 18:43:21 Tree
[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
Older >
Want the latest updates on software, tech news, and AI?
Get latest updates about software, tech news, and AI from SourceForge directly in your inbox once a month.