Autogenerated Tag Syntax Documentation:

A metric to report the SapScore of a specific region of a pose. Also see the AddSapConstraintMover. See this paper for more info on sap: Developability index: a rapid in silico tool for the screening of antibody aggregation propensity. Lauer, et. al. J Pharm Sci 2012

<PerResidueSapScoreMetric name="(&string;)" custom_type="(&string;)"
        output_as_pdb_nums="(false &bool;)" residue_selector="(&string;)"
        score_selector="(true_selector &string;)"
        sap_calculate_selector="(&string;)" sasa_selector="(&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+chain instead of Rosetta (1 - N numbering)
  • residue_selector: If a residue selector is present, we only calculate and output metrics for the subset of residues selected. 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.
  • score_selector: Which residues should be included in the sap score? Optional, will default to full-pose.
  • sap_calculate_selector: Which residues should be present during the sap calculation? Only residues in the score_selector will have their values reported, but residues in this selector will still be assigned atom-saps which can affect the residues in score_selector. Optional, will default to score_selector.
  • sasa_selector: Which residues should be present during the sasa calculation? Optional, will default to sap_calculate_selector.