[phenixbb] sugar links in phenix.refine

Ralf W. Grosse-Kunstleve rwgk at cci.lbl.gov
Wed Jul 4 09:27:11 PDT 2007


Almost, but you need a separate scope (thing between braces)
for each link, e.g.:

refinement.pdb_interpretation.apply_cif_link {
  data_link = NAG-ASN
  residue_selection_1 = chain A and resname NAG and resid 900
  residue_selection_2 = chain A and resname ASN and resid 329
}
refinement.pdb_interpretation.apply_cif_link {
  data_link = NAG-NAG-b-D
  residue_selection_1 = chain A and resname NAG and resid 901
  residue_selection_2 = chain A and resname ASN and resid 900
}

Or alternatively:

refinement.pdb_interpretation {
  apply_cif_link {
    data_link = NAG-ASN
    residue_selection_1 = chain A and resname NAG and resid 900
    residue_selection_2 = chain A and resname ASN and resid 329
  }
  apply_cif_link {
    data_link = NAG-NAG-b-D
    residue_selection_1 = chain A and resname NAG and resid 901
    residue_selection_2 = chain A and resname ASN and resid 900
  }
}

Ralf



More information about the phenixbb mailing list