[phenixbb] selectively remove bond length restraints on atoms

Maxime Cuypers cuypers at ill.fr
Thu Mar 15 08:20:43 PDT 2012


What is the best way to selectively remove bond length restraints on some
selected atoms for phenix.refine?
i found the commands for a .param file:

refinement {
  geometry_restraints.remove {
    angles = None
    dihedrals = None
    chiralities = None
    planarities = None

but no bond length command in the manual online.
otherwise there is the commands

refinement {
  geometry_restraints.edit {
    bond {
      action=  *delete change
      atom_selection_1= (selection1 here)
      atom_selection_2= (selection2 here)
      distance_ideal= None

is it a good way to deal with the problem ?
thanks in advance for your help.

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