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DnaInterfacePacker

<DnaInterfacePacker name="(&string)" scorefxn="(&string)" task_operations="(&string,&string,&string)" binding="(0, &bool)" base_only="(false, &bool)" minimize="(0, &bool)" probe_specificity="(0, &bool)" reversion_scan="(false, &bool)"/>
  • binding: calculate binding energy
  • base_only: consider only interaction with the DNA bases
  • minimize: minimize protein side chains at the interface
  • probe_specificity: calculate binding energy of designed protein for alternative DNA targets and calculate a specificity score
  • reversion_scan: revert mutations that do not contribute to the specificity score

See Also