Autogenerated Tag Syntax Documentation:


A ResidueSelector that selects all residues with hydrogen bonds to the specified starting residues. If no input residues are specified, selects all residues forming hydrogen bonds.

<HBond name="(&string;)" residue_selector="(&string;)"
        include_bb_bb="(false &bool;)" hbond_energy_cutoff="(-0.5 &real;)"
        resnums="(&resnum_list_with_ranges;)" scorefxn="(&string;)" >
    <Residue Selector Tag ... />
</HBond>
  • residue_selector: Name of residue selector specifying residues for which to select hydrogen bonded partners. 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.
  • include_bb_bb: Include backbone-backbone hydrogen bonds?
  • hbond_energy_cutoff: Upper energy cutoff for whether we will count a hydrogen bond
  • resnums: List of residue numbers to use
  • scorefxn: Name of score function to use

"Residue Selector Tag": Any of the ResidueSelectors