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example_of_parameter_file_containing_link_info

refinement.geometry_restraints.edits {

bond {
  action = *add
  atom_selection_1 = name  SG  and chain A and resname CYS and resseq   52 and altloc A
  atom_selection_2 = name  SG2 and chain A and resname GCG and resseq 1001
  distance_ideal = 2.183
  sigma = 0.010
}
bond {
  action = *add
  atom_selection_1 = name  SG  and chain A and resname CYS and resseq   52 and altloc B
  atom_selection_2 = name  SG  and chain A and resname CYS and resseq   57 and altloc B
  distance_ideal = 2.183
  sigma = 0.010
}
bond {
  action = *add
  atom_selection_1 = name  SG  and chain B and resname CYS and resseq   52 and altloc A
  atom_selection_2 = name  SG2 and chain B and resname GCG and resseq 1001 and altloc A
  distance_ideal = 2.183
  sigma = 0.010
}
bond {
  action = *add
  atom_selection_1 = name  SG  and chain B and resname CYS and resseq   52 and altloc B
  atom_selection_2 = name  SG  and chain B and resname CYS and resseq   57 and altloc B
  distance_ideal = 2.183
  sigma = 0.010
}
bond {
  action = *add
  atom_selection_1 = name  SG  and chain C and resname CYS and resseq   52 and altloc A
  atom_selection_2 = name  SG2 and chain C and resname GCG and resseq 1001 and altloc A
  distance_ideal = 2.183
  sigma = 0.010
}
bond {
  action = *add
  atom_selection_1 = name  SG  and chain C and resname CYS and resseq   52 and altloc B
  atom_selection_2 = name  SG  and chain C and resname CYS and resseq   57 and altloc B
  distance_ideal = 2.183
  sigma = 0.010
}
bond {
  action = *add
  atom_selection_1 = name  SG  and chain D and resname CYS and resseq   52 and altloc A
  atom_selection_2 = name  SG2 and chain D and resname GCG and resseq 1001
  distance_ideal = 2.183
  sigma = 0.010
}
bond {
  action = *add
  atom_selection_1 = name  SG  and chain D and resname CYS and resseq   52 and altloc B
  atom_selection_2 = name  SG  and chain D and resname CYS and resseq   57 and altloc B
  distance_ideal = 2.183
  sigma = 0.010
}

}

example_of_parameter_file_containing_link_info.txt · Last modified: 2016/05/12 09:08 by root