Menu

SVN archive Commit Log


Commit Date  
[r17134] by bugman

Print out improvements for the relaxation data pack_data() function.

2012-07-02 16:18:26 Tree
[r17133] by bugman

More BMRB function conversions for the interatomic data design.

2012-07-02 16:08:29 Tree
[r17132] by bugman

The generic_fns.mol_res_spin.index_molecule() function now handles no molecule name given.

If no name is given and only a single molecule is in the current data pipe, then the index of 0 will
be returned.

2012-07-02 15:52:48 Tree
[r17131] by bugman

The sequence.attach_protons user function now ignores spins with pre-existing attached protons.

2012-07-02 15:35:38 Tree
[r17130] by bugman

Fixes for the model-free analysis bmrb_write() method for the interatomic data design.

2012-07-02 15:19:13 Tree
[r17129] by bugman

Fixes for the relaxation data bmrb_write() function for the interatomic data design.

2012-07-02 15:18:45 Tree
[r17128] by bugman

Improvement for the generic_fns.interatomic.return_interatom_list() function.

The spin ID matching is now through the id_match() function, allowing unique but different spin IDs
to be used. This now matches the return_interatom() behaviour.

2012-07-02 15:17:51 Tree
[r17127] by bugman

Fix for the model-free back-calculation of relaxation data for the interatomic data design.

The overfit_deselect() method needs to be called to deselect the proton spin containers.

2012-07-02 13:33:56 Tree
[r17126] by bugman

Updated the Diffusion_tensor system test scripts to the interatomic data design.

2012-07-02 13:33:11 Tree
[r17125] by bugman

Bug fix for the generic_fns.interatomic.copy() function for when no interatomic data exists.

This now returns without doing anything rather than raising a RelaxError.

2012-07-02 13:02:34 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.