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CompositeEnergyMetric

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

Autogenerated Tag Syntax Documentation:


Author: Jared Adolf-Bryfogle (jadolfbr@gmai.com) A metric to report/calculate all of the energies of a scorefunction that are not 0 or the delta of each energy between another input pose or the set native.

<CompositeEnergyMetric name="(&string;)" custom_type="(&string;)"
        reference_name="(&string;)" use_native="(false &bool;)"
        residue_selector="(&string;)" 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.
  • 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.
  • residue_selector: If a residue selector is present, we calculate each energy component for only these residues. The name of a previously declared residue selector or a logical expression of AND, NOT (!), OR, parentheses, and the names of previously declared residue selectors. Any capitalization of AND, NOT, and OR is accepted. An exclamation mark can be used instead of NOT. Boolean operators have their traditional priorities: NOT then AND then OR. For example, if selectors s1, s2, and s3 have been declared, you could write: 's1 or s2 and not s3' which would select a particular residue if that residue were selected by s1 or if it were selected by s2 but not by s3.
  • scorefxn: Name of score function to use

See Also