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InteractionEnergyMetric

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Author: Jared Adolf-Bryfogle (jadolfbr@gmail.com) A metric for measuring the short and long range interaction energy between residues using two sets of residue selectors. Will use the current energies of the pose, unless force_rescore option is set.

<InteractionEnergyMetric name="(&string;)" custom_type="(&string;)"
scoretypes_only="(&string;)" scoretypes_skip="(&string;)"
include_rama_prepro_and_proclose="(false &bool;)"
force_rescore="(false &bool;)" residue_selector="(&string;)"
residue_selector2="(&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.
• scoretypes_only: Include only this list of ScoreTypes
• scoretypes_skip: Always skip these score types
• include_rama_prepro_and_proclose: Include rama_prepro energy term AND pro_close? (Which are two-body backbone score terms)
• force_rescore: Should we rescore the pose, even if it has an energies object? This will force a pose copy and rescore and will not be as efficent as having a scored pose
• residue_selector: Selector specifying first set of residues.
• residue_selector2: Selector specifying second set of residues. Default is TrueResidueSelector
• scorefxn: Name of score function to use