The PeptideInternalHbondsMetric counts hydrogen bonds between residues that are within a residue selection, or, if no residue selection is provided, wihin a pose. Unlike the HbondMetric, the PeptideInternalHbondsMetric omits from the count any hydrogen bonds that are between residues that are within a user-specified distance in terms of covalent connectivity. This is particularly useful for finding long-range backbone hydrogen bonds in peptide macrocycles, for example.
Autogenerated Tag Syntax Documentation:
A metric for counting the number of hydrogen bonds that are internal to a cyclic peptide or other residue selection. Note that this metric does not count intra-residue hydrogen bonds.
<PeptideInternalHbondsMetric name="(&string;)" custom_type="(&string;)" backbone_backbone="(true &bool;)" backbone_sidechain="(false &bool;)" sidechain_sidechain="(false &bool;)" exclusion_distance="(1 &non_negative_integer;)" hbond_energy_cutoff="(-0.25 ℜ)" scorefxn="(&string;)" residue_selector="(&string;)" />