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DihedralDistanceMetric

Author: Jared Adolf-Bryfogle (jadolfbr@gmail.com)

Autogenerated Tag Syntax Documentation:


Author: Jared Adolf-Bryfogle (jadolfbr@gmail.com) Calculate DihedralDistance metric. This is the normalized metric in degrees Works on protein and carbohydrate backbones

Metric described in: North B, Lehmann A, Dunbrack RL. A new clustering of antibody CDR loop conformations. J Mol Biol 2011;406:228-256.

<DihedralDistanceMetric name="(&string;)" custom_type="(&string;)"
        include_omega="(false &bool;)" use_native="(false &bool;)"
        reference_name="(&string;)" residue_selector="(&string;)"
        residue_selector_ref="(&string;)" />
  • custom_type: Allows multiple configured SimpleMetrics of a single type to be called in a single RunSimpleMetrics and SimpleMetricFeatures. The custom_type name will be added to the data tag in the scorefile or features database.
  • include_omega: Do we include protein omega in calculations? Default false.
  • use_native: Use the native if present on the cmd-line.
  • reference_name: Name of reference pose to use (Use the SavePoseMover to create a reference pose)
  • residue_selector: Calculate the RMSD for these residues for both reference and main pose.
  • residue_selector_ref: Selector for the reference pose (input native or passed reference pose. ). Residues selected must be same number of residues selected for the main selector.

See Also