[phenixbb] geometry_restraints between sym mates?

Scott Classen sclassen at lbl.gov
Mon May 17 13:56:35 PDT 2010


Hi all,
Is this possible?

# on working model
  bond {
      atom_selection_1 = "name SM and chain M and resname SM and resseq 1"
      atom_selection_2 = "name OE1 and chain A and resname GLU and resseq 313"
      distance_ideal = 2.5
      sigma = 0.2
    }
# on SYM mol
    bond {
      atom_selection_1 = "name SM and chain M and resname SM and resseq 1"
      atom_selection_2 = "name OE1 and chain A and resname GLU and resseq 285"
      distance_ideal = 2.5
      sigma = 0.2
    }

I'll find out in a few minutes when I run it through phenix.refine, but I thought to ask anyways.
Thanks,
Scott




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