Hi Joel,
I'm working on a similar structure at the moment.
If refining in refmac, you could add a line to the pdb such as:
LINKRSG ACYS A 22 SG ACYS A 96SS
and tell the program to only use links defined in the pdb file.
If refining in phenix, you could
Dear all,
I am refining structures containing disulfides using refmac. Many of the
disulfides are partly broken due to radiation damage.
I tried modeling alternative conformations (i.e. one cysteine pair in a
disulfide and the other pair as free thiols), but after refinement the reduced
form i
