Merge pull request #2171 from RosettaCommons/guffysl/hbond_residue_selector
This commit adds two new residue selectors, BondedResidueSelector and HBondSelector.
BondedResidueSelector requires either an input residue selector or list of residue numbers and selects all residues with chemical bonds to the input set. HBondSelector optionally takes an input residue selector or list of residue numbers. If provided, it selects all residues that form hydrogen bonds with residues in the input set given that those hydrogen bonds meet a specified energy requirement (default -0.5 REU). If no selector is provided, all residues in the pose that form hydrogen bonds are selected. By default, backbone-backbone hydrogen bonds are ignored.