Autogenerated Tag Syntax Documentation:


Generates different atom pair constraints between residues in the same contiguous segment and between segments.

<SegmentedAtomPairConstraintGenerator name="(&string;)" native="(false &bool;)"
        residue_selector="(&string;)" >
    <Inner sd="(0.500000 &real;)" weight="(1.000000 &real;)" ca_only="(1 &bool;)"
            use_harmonic="(0 &bool;)" unweighted="(0 &bool;)"
            min_seq_sep="(8 &non_negative_integer;)" />
    <Outer sd="(0.500000 &real;)" weight="(1.000000 &real;)" ca_only="(1 &bool;)"
            use_harmonic="(0 &bool;)" unweighted="(0 &bool;)"
            max_distance="(12.000000 &real;)" />
</SegmentedAtomPairConstraintGenerator>
  • native: Restrain to native distance?
  • residue_selector: (REQUIRED) Selector specifying residues to be constrained. When not provided, all residues are 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.

Subtag Inner:

  • sd: Standard deviation for distance constraint
  • weight: Weight of distance constraint
  • ca_only: Only make constraints between alpha carbons
  • use_harmonic: If true, use harmonic function instead of SOG function
  • unweighted: If true, SCALARWEIGHTEDFUNC is not added to the constraint definition
  • min_seq_sep: Minimum sequence separation between constrained residues

Subtag Outer:

  • sd: Standard deviation for distance constraint
  • weight: Weight of distance constraint
  • ca_only: Only make constraints between alpha carbons
  • use_harmonic: If true, use harmonic function instead of SOG function
  • unweighted: If true, SCALARWEIGHTEDFUNC is not added to the constraint definition
  • max_distance: Do not add constraints if atoms are farther apart than this