The PeptideInternalHbondsFilter counts hydrogen bonds between residues that are within a residue selection, or, if no residue selection is provided, wihin a pose, and discards pose with counts below a user-defined threshold. This filter 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.
The PeptideInternalHbondsFilter is a thin wrapper for the PeptideInternalHbondsMetric, filtering based on the metric's output.
Autogenerated Tag Syntax Documentation:
This filter filters based on a user-specified minimum number of internal backbone hydrogen bonds within the selection or pose. Note that this filter is actually a thin wrapper for the PeptideInternalHbondsMetric.
<PeptideInternalHbondsFilter name="(&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;)" hbond_cutoff="(1 &non_negative_integer;)" confidence="(1.0 ℜ)" />