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protocols::neighbor Namespace Reference

Classes

class  Neighborhood
 A class to determine the neighborhood of a set of residues within a pose. More...
 

Typedefs

typedef bool(* NGB_FUN_PTR )(core::conformation::Residue const &r1, core::conformation::Residue const &r2, core::pose::Pose const &ps)
 type of functions that determine whether two residues are neighbor of one another More...
 

Functions

static basic::Tracer TR ("protocols.neighbor")
 
bool in_nrg_graph (Residue const &r1, Residue const &r2, Pose const &ps)
 : returns true iff r2 is a residue whose node in the energy graph is connected to r1's. More...
 
bool in_ngbat_sphere (Residue const &r1, Residue const &r2, Pose const &)
 : returns true iff r2's neighbor atom falls within a cutoff distance of r1's neighbor atom. More...
 

Typedef Documentation

typedef bool(* protocols::neighbor::NGB_FUN_PTR)(core::conformation::Residue const &r1, core::conformation::Residue const &r2, core::pose::Pose const &ps)

type of functions that determine whether two residues are neighbor of one another

Function Documentation

bool protocols::neighbor::in_ngbat_sphere ( Residue const &  r1,
Residue const &  r2,
Pose const &   
)

: returns true iff r2's neighbor atom falls within a cutoff distance of r1's neighbor atom.

Parameters
[in]r1residue r1
[in]r2residue r2
[in]pspose to which both residues belong

The squared cutoff distance is specified within the function by constant DCUT2.

References core::conformation::Residue::nbr_atom(), and core::conformation::Residue::xyz().

bool protocols::neighbor::in_nrg_graph ( Residue const &  r1,
Residue const &  r2,
Pose const &  ps 
)

: returns true iff r2 is a residue whose node in the energy graph is connected to r1's.

Parameters
[in]r1residue r1
[in]r2residue r2
[in]pspose to which both residues belong

References core::pose::Pose::energies(), core::scoring::Energies::energy_graph(), and core::conformation::Residue::seqpos().

static basic::Tracer protocols::neighbor::TR ( "protocols.neighbor"  )
static