This page was last modified on 7 July 2015 by Vikram K. Mulligan (vmullig@uw.edu), Baker laboratory. Back to Filters page.
This filter counts the number of residues that form hydrogen bonds to a selected residue, where each hydrogen bond needs to have, at most, energy_cutoff energy. For backbone-backone hydrogen bonds, turn the bb_bb flag on.
This filter was originally written in the context of protein interface design, and was subsequently rewritten completely to be a general hydrogen bond counter. By default, all hydrogen bonds to a residue are counted. To count only hydrogen bonds between a residue and residues in other chains, turn off the from_same_chain flag. Alternatively, to count only hydrogen bonds within a chain, and not to other chains, turn off the from_other_chains flag.
<HbondsToResidue name="(hbonds_filter &string)" scorefxn="(&string)" partners="(&integer)" energy_cutoff="(-0.5 &float)" backbone="(false &bool)" bb_bb="(false &bool)" sidechain="(true &bool)" residue="(&string)" from_other_chains="(true &bool)" from_same_chain="(true &bool)" residue_selector="(&string)">