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Growing Glycans in Rosetta: Accurate de novo glycan modeling, density fitting, and rational sequon design Jared Adolf-Bryfogle, J. W Labonte, J. C Kraft, M. Shapavolov, S. Raemisch, T. Lutteke, F. Dimaio, C. D Bahl, J. Pallesen, N. P King, J. J Gray, D. W Kulp, W. R Schief bioRxiv 2021.09.27.462000; https://doi.org/10.1101/2021.09.27.462000
Autogenerated Tag Syntax Documentation:
A metric to report the total h-bonds residues from a selection to all [OTHER] residues, or from a set of residues to another set of residues. If No selection is given, will report ALL vs ALL.
TIPS: Use the SummaryMetric to get total hbonds of a selection or total number of residues having some number of hbonds. . See the WaterMediatedBridgedHBondMetric for water-mediated h-bonds.
It is recommended to use -beta (-beta_nov16 and -genpot) as your scorefunction for better detection of hbonds.
By default does not report self-self hbonds (but this is an option).
AUTHORS: Jared Adolf-Bryfogle (firstname.lastname@example.org) Citation: De-Novo Glycan Modeling in Rosetta (drafting)
<HbondMetric name="(&string;)" custom_type="(&string;)" output_as_pdb_nums="(false &bool;)" residue_selector="(&string;)" residue_selector2="(&string;)" include_self="(false &bool;)" />
ResidueSummaryMetric: Summarize a PerResidueRealMetric in various ways, such as the mean, sum, or the number of residues above, below, or equal to a certain value.
RunSimpleMetrics: Run a set of SimpleMetrics and output data to the scorefile