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per_residue_metrics Directory Reference
Directory dependency graph for per_residue_metrics:
src/core/simple_metrics/per_residue_metrics

Files

file  HbondMetric.cc
 A metric to report the total h-bonds of a residue, or from a set of residues to another set of residues. Use the SummaryMetric to get total hbonds of a selection or between selections. See the WaterMediatedBridgedHBondMetric for water-mediated h-bonds.
 
file  HbondMetric.fwd.hh
 A metric to report the total h-bonds of a residue, or from a set of residues to another set of residues. Use the SummaryMetric to get total hbonds of a selection or between selections. See the WaterMediatedBridgedHBondMetric for water-mediated h-bonds.
 
file  HbondMetric.hh
 A metric to report the total h-bonds of a residue, or from a set of residues to another set of residues. Use the SummaryMetric to get total hbonds of a selection or between selections. See the WaterMediatedBridgedHBondMetric for water-mediated h-bonds.
 
file  PerResidueClashMetric.cc
 A SimpleMetric that calculates the number of atomic clashes per residue using the LJ radius (at 0). Can use a soft radius, which reduces it by 33%.
 
file  PerResidueClashMetric.fwd.hh
 A SimpleMetric that calculates the number of atomic clashes per residue using the LJ radius (at 0). Can use a soft radius, which reduces it by 33%.
 
file  PerResidueClashMetric.hh
 A SimpleMetric that calculates the number of atomic clashes per residue using the LJ radius (at 0).
 
file  PerResidueDensityFitMetric.cc
 A per-residue metric that will calculate the density fit for each residue using either a correlation or a zscore.
 
file  PerResidueDensityFitMetric.fwd.hh
 A per-residue metric that will calculate the density fit for each residue using either a correlation or a zscore.
 
file  PerResidueDensityFitMetric.hh
 A per-residue metric that will calculate the density fit for each residue using either a correlation or a zscore.
 
file  PerResidueEnergyMetric.cc
 A per-residue metric that will calculate/output per residue total energies or a specific score component. Correctly decomposes energies to per-residue.
 
file  PerResidueEnergyMetric.fwd.hh
 A per-residue metric that will calculate/output per residue total energies or a specific score component. Correctly decomposes energies to per-residue.
 
file  PerResidueEnergyMetric.hh
 A per-residue metric that will calculate/output per residue total energies or a specific score component. Correctly decomposes energies to per-residue.
 
file  PerResidueGlycanLayerMetric.cc
 A metric that outputs the layer of the glycan tree as measured by the residue distance to the root.
 
file  PerResidueGlycanLayerMetric.fwd.hh
 A metric that outputs the layer of the glycan tree as measured by the residue distance to the root.
 
file  PerResidueGlycanLayerMetric.hh
 A metric that outputs the layer of the glycan tree as measured by the residue distance to the root.
 
file  PerResidueRMSDMetric.cc
 A per-residue metric thtat will calculate the RMSD for each residue given in a residue selector to a reference pose.
 
file  PerResidueRMSDMetric.fwd.hh
 A per-residue metric thtat will calculate the RMSD for each residue given in a residue selector to a reference pose.
 
file  PerResidueRMSDMetric.hh
 A per-residue metric thtat will calculate the RMSD for each residue given in a residue selector to a reference pose.
 
file  PerResidueSasaMetric.cc
 A per-residue metric that will calculate SASA for each residue given in a selector.
 
file  PerResidueSasaMetric.fwd.hh
 A per-residue metric that will calculate SASA for each residue given in a selector.
 
file  PerResidueSasaMetric.hh
 A per-residue metric that will calculate SASA for each residue given in a selector.
 
file  WaterMediatedHbondMetric.cc
 A metric to measure hydrogen bonds between a set of residues that are water-mediated. Depth of 1 is default where one water mediates the interface between these residues. Depth can be set. Make sure to use the -include_waters flag to have Rosetta not ignore HOH.
 
file  WaterMediatedHbondMetric.fwd.hh
 A metric to measure hydrogen bonds between a set of residues that are water-mediated. Depth of 1 is default where one water mediates the interface between these residues. Depth can be set. Make sure to use the -include_waters flag to have Rosetta not ignore HOH.
 
file  WaterMediatedHbondMetric.hh
 A metric to measure hydrogen bonds between a set of residues that are water-mediated. Depth of 1 is default where one water mediates the interface between these residues. Depth can be set. Make sure to use the -include_waters flag to have Rosetta not ignore HOH.