[phenixbb] reference model restraints now support multiple reference model files

Jeff Headd jjheadd at lbl.gov
Wed Mar 28 09:53:17 PDT 2012


Hi PHENIX users,

After numerous user requests, we've added support to phenix.refine for
multiple reference model input files.

If you are refining a complex and have reference models for individual
components, you may now input as many files as necessary.

A parameter file would include:

refinement {
  reference_model {
    file = "reference_A.pdb"
    file = "reference_B.pdb"
  }
}

Chain matching is still carried out automatically, so simply specifying the
file paths is usually enough for the restraints to be generated for
refinement. Details of chain matches are printed in the .log file, as well
as in the reference_model scope in the .eff file.

If anyone has questions, please let me know.

Thanks!

Jeff
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