Commit | Date | |
---|---|---|
[r8213]
by
bugman
Created a branch for modifying how relax handles multiple structures verses multiple models. Currently relax handles models or ensembles of the same molecule verses different molecules very |
2008-12-12 16:37:14 | Tree |
2008-12-12 15:31:37 | Tree | |
[r8211]
by
bugman
Created a new arg 'combine_models' to the structure.load_spins() user function. This will allow spins to be extracted separately for each model in an ensemble or for only one set |
2008-12-12 15:07:07 | Tree |
[r8210]
by
bugman
Another bug fix for the load_pdb() internal structure object method. This was found by the lactose N-state model system test. The __fill_object_from_pdb() method was |
2008-12-12 10:31:06 | Tree |
[r8209]
by
bugman
Partial bug fix for the lactose N-state model system test. The bond vector returning function for the internal PDB reader was converting the atom_id to |
2008-12-12 10:24:10 | Tree |
[r8208]
by
bugman
Fixes for the lactose PDB file reading system tests. The path to the files has changed! |
2008-12-12 10:05:28 | Tree |
2008-12-12 10:02:35 | Tree | |
2008-12-12 09:57:13 | Tree | |
2008-12-12 09:56:09 | Tree | |
[r8204]
by
bugman
Added some lactose RDC and PCS data. Note this is randomised and truncated for protection!!! |
2008-12-12 09:47:28 | Tree |