Rosetta  2021.16
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Namespaces | Functions
BumpGrid.cc File Reference
#include <protocols/match/BumpGrid.hh>
#include <core/chemical/AtomType.hh>
#include <core/chemical/AtomTypeSet.hh>
#include <core/chemical/ChemicalManager.hh>
#include <core/conformation/Residue.hh>
#include <core/pose/Pose.hh>
#include <basic/Tracer.hh>
#include <utility/vector1.hh>

Namespaces

 protocols
 The instance of Loops contained by AbrelaxApplication should be replaced by a LoopsOP.
 
 protocols::match
 

Functions

static basic::Tracer protocols::match::TR ("protocols.BumpGrid")
 
utility::vector1< ProbeRadius > protocols::match::initialize_atomtype_2_probe_radius_map ()
 
ProbeRadius protocols::match::probe_radius_for_atom_type (core::Size atomtype)
 
BumpGridOP protocols::match::bump_grid_to_enclose_pose (core::pose::Pose const &pose)
 
BumpGridOP protocols::match::bump_grid_to_enclose_residue_backbone (core::conformation::Residue const &residue, BumpGrid const &original_grid)
 Construct a BumpGrid that encloses the backbone atoms for a single residue. Use the original_grid as a starting point, copying over all pertinent data such that the two grids can later be merged together. More...
 
BumpGridOP protocols::match::bump_grid_to_enclose_residue (core::conformation::Residue const &residue, BumpGrid const &original_grid)
 Construct a BumpGrid that encloses a single residue. Use the original_grid as a starting point, copying over all pertinent data such that the two grids can later be merged together. More...
 
void protocols::match::fill_grid_with_residue_spheres (core::conformation::Residue const &residue, BumpGrid &grid)
 
void protocols::match::fill_grid_with_residue_heavyatom_spheres (core::conformation::Residue const &residue, BumpGrid &grid)
 
void protocols::match::fill_grid_with_backbone_heavyatom_spheres (core::conformation::Residue const &residue, BumpGrid &grid)
 

Detailed Description

Author
Alex Zanghellini (zangh.nosp@m.ell@.nosp@m.u.was.nosp@m.hing.nosp@m.ton.e.nosp@m.du)
Andrew Leaver-Fay (aleav.nosp@m.erfa.nosp@m.y@gma.nosp@m.il.c.nosp@m.om), porting to mini