Rosetta  2021.16
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util.hh File Reference

Util functions for atomic_depth calculations. More...

#include <core/scoring/atomic_depth/AtomicDepth.hh>
#include <core/id/AtomID_Map.hh>
#include <utility/vector1.hh>

Namespaces

 core
 A class for reading in the atom type properties.
 
 core::scoring
 
 core::scoring::atomic_depth
 

Functions

core::id::AtomID_Map< core::Realcore::scoring::atomic_depth::atomic_depth (pose::Pose const &pose, Real probe_radius, bool poly_leu_depth, Real resolution)
 Calculate depth of all atoms from edge of Sasa surface. More...
 
core::id::AtomID_Map< core::Realcore::scoring::atomic_depth::atomic_depth (pose::Pose const &pose, AtomicDepthOP &depth, Real probe_radius, bool poly_leu_depth, Real resolution)
 Calculate depth of all atoms from edge of Sasa surface. If atomic_depth is a nullptr, will create one and return it. Note that probe_radius is ignored if atomic_depth is not null. More...
 
core::id::AtomID_Map< core::Realcore::scoring::atomic_depth::atomic_depth (pose::Pose const &pose, core::id::AtomID_Map< bool > depth_atoms, Real probe_radius, bool poly_leu_depth, Real resolution)
 Calculate depth of certain atoms from edge of Sasa surface. More...
 
core::id::AtomID_Map< core::Realcore::scoring::atomic_depth::atomic_depth (pose::Pose const &pose, core::id::AtomID_Map< bool > depth_atoms, AtomicDepthOP &depth, Real probe_radius, bool poly_leu_depth, Real resolution)
 Calculate depth of certain atoms from edge of Sasa surface. If atomic_depth is a nullptr, will create one and return it. Note that probe_radius is ignored if atomic_depth is not null. More...
 
core::id::AtomID_Map< boolcore::scoring::atomic_depth::atoms_deeper_than (pose::Pose const &pose, Real threshold, bool invert, Real probe_radius, bool poly_leu_depth, Real resolution)
 Find all atoms deeper than threshold from the edge of the sasa surface. More...
 

Detailed Description

Util functions for atomic_depth calculations.

Author
Brian Coventry