Back to SimpleMetrics page.

PerResidueEnergyMetric

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

Autogenerated Tag Syntax Documentation:


Author: Jared Adolf-Bryfogle (jadolfbr@gmail.com) A per-residue metric that will calculate/output per residue total energies or a specific score component. WEIGHTED.Correctly decomposes energies to per-residue.

<PerResidueEnergyMetric name="(&string;)" custom_type="(&string;)"
        output_as_pdb_nums="(&string;)" residue_selector="(&string;)"
        reference_name="(&string;)" use_native="(false &bool;)"
        scoretype="(total_score &scoretypes;)" scorefxn="(&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.
  • output_as_pdb_nums: If outputting to scorefile use PDB numbering instead of Rosetta (default)
  • residue_selector: If a residue selector is present, we only calculate and output metrics for the subset of residues selected.
  • reference_name: Name of reference pose to use (Use the SavePoseMover to create a reference pose)
  • use_native: Use the native if present on the cmd-line.
  • scoretype: ScoreType to calculate.
  • scorefxn: Name of score function to use

See Also