I am wondering if I can define a distant restraint longer that 3A in a custom restraint file? The conventional way of doing this is to provide :
refinement.geometry_restraints.edits {
C8_C1=chain C and resid 8 and name C1'
D10_C1=chain D and resid 10 and name C1'
bond {
action = *add
atom_selection_1 = $C8_C1
atom_selection_2 = $D10_C1
distance_ideal = 9.1
sigma = 0.02
slack = 0.5
}
Obviously this is a distant and not bond restraint. 9.1 exceeds the allowed length of 3 for a bond. Is there a different type of restraint that allows longer distances?
Thanks!
--
Bradley J. Hintze
Duke University
PhD Candidate
Department of Biochemistry