Autogenerated Tag Syntax Documentation:


A metric for calculating each sidechains neighbors based on cones. This metric uses the same core code as the LayerSelector. It can be combined with the SimpleMetricSelector to select any set of residues based on burial.

<SidechainNeighborCountMetric name="(&string;)" custom_type="(&string;)"
        output_as_pdb_nums="(false &bool;)" residue_selector="(&string;)"
        angle_exponent="(2.0 &real;)" angle_shift_factor="(0.5 &real;)"
        dist_exponent="(1.0 &real;)" dist_midpoint="(9.0 &real;)"
        res_denominator="(1.0 &real;)" />
  • 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.
  • angle_exponent: The exponent for the angle term, which affects how close other atoms have to be to the CA-CB line to be counted fully. Residues in the cone are counted and the count is multiplied by the cosine of the angle between the CA-CB vector and the CA-other atom vector. The shift factor is then added, and the resulting value is raised to the angle_exponent (default 2.0) and multiplied by the distance factor.
  • angle_shift_factor: The shift factor for the angle term. Residues in the cone are counted and the count is multiplied by the cosine of the angle between the CA-CB vector and the CA-other atom vector. The shift factor (default 0.5) is then added, and the resulting value is raised to the angle_exponent and multiplied by the distance factor.
  • dist_exponent: Set the exponent for the distance term, which affects how sharp the falloff is with distance. The distance term is: 1/(1+exp(n*(d - m))), where d is the distance, n is the exponent set by this term, and m is the midpoint of the falloff. The n value sets the sharpness. Defaults to 1.0.
  • dist_midpoint: Midpoint of the distance falloff sigmoid. Defaults to 9.0. Only used by the sidchain_neighbors code.
  • res_denominator: Factor by which number of residue neighbors is divided. Defaults to 1.0.