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The RamaMutationSelector selects positions which, when mutated to a desired residue type, would have a rama_prepro score below a user-defined threshold. This is useful for selecting those positions that ought to be mutated to a particular conformationally-constrained residue type, such as proline or alpha-aminoisobutyric acid.

<RamaMutationSelector name="(&string;)" target_type="(&string;)"
        score_threshold="(0.0 &real;)" rama_prepro_multiplier="(0.45 &real;)" />
  • target_type: The target residue type (full name, not three-letter code) that we are considering. This residue selector will select positions which, when mutated to this residue type, have a rama_prepro score below the score threshold. If the type is set to an empty string (""), the current residue type at each position is considered instead.
  • score_threshold: The rama_prepro score threshold above which positions are not selected.
  • rama_prepro_multiplier: A weighting factor for rama_prepro scoring. The calculated rama_prepro value is multiplied by this factor before being compared to the threshold value. This is for convenience: rama_prepro is generally given a weight different than 1.0 in the score function. This defaults to 0.45 to match the weight in the beta_nov15 score function.