I would like to use the spin-lable R1A (implemented as part of Rosetta EPR).
In database/chemical/residue_type_sets/fa_standard/residue_types.txt I activated the needed lines
## Spin label types
# kills my unit tests???
Although the “kills my unit tests???” comment is not very encouraging:=)
The problem is:
When I try to generate a pose from sequence and create an alpha-helix, the helix is terminated at the spin label position. Here is an example IPython notebook demonstrating the problem. Does anybody have a suggestion on how to get this working?