[phenixbb] NCS restraints

Ralf W. Grosse-Kunstleve rwgk at cci.lbl.gov
Thu May 22 13:50:36 PDT 2008


Hi Chris,

This parameter is available for changing the strength of the ncs
restraints:

  ncs.restraint_group.coordinate_sigma = 0.05

You have to change this parameter for each restraint group separately.
I.e. like this:

  refinement.ncs.restraint_group {
    reference = chain A
    selection = chain B
    coordinate_sigma = 0.1
  }
  refinement.ncs.restraint_group {
    reference = chain C
    selection = chain D
    coordinate_sigma = 0.1
  }

Ralf



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