Rosetta  2021.16
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util.cc File Reference

Utility function definitions for poses with noncanonical backbones. More...

#include <core/pose/ncbb/util.hh>
#include <core/pose/Pose.hh>
#include <core/conformation/Residue.hh>
#include <core/conformation/Conformation.hh>
#include <core/scoring/constraints/AtomPairConstraint.hh>
#include <core/scoring/constraints/AngleConstraint.hh>
#include <core/scoring/constraints/DihedralConstraint.hh>
#include <core/scoring/constraints/ConstraintSet.hh>
#include <core/scoring/func/CircularHarmonicFunc.hh>
#include <core/scoring/func/HarmonicFunc.hh>
#include <core/chemical/VariantType.hh>
#include <core/id/AtomID.hh>
#include <core/id/TorsionID.hh>
#include <core/types.hh>
#include <utility/vector1.hh>
#include <basic/Tracer.hh>
#include <numeric/xyz.functions.hh>

Namespaces

 core
 A class for reading in the atom type properties.
 
 core::pose
 
 core::pose::ncbb
 

Functions

static basic::Tracer TR ("core.pose.ncbb.util")
 
utility::vector1< core::Sizecore::pose::ncbb::initialize_ncbbs (Pose &pose)
 
utility::vector1< core::Sizecore::pose::ncbb::initialize_hbs (Pose &pose)
 
void core::pose::ncbb::add_generic_hbs_constraint (core::pose::Pose &pose, core::Size hbs_pre_position, core::Real distance, core::Real std, std::string const &cy2name, std::string const &cy1name)
 
void core::pose::ncbb::add_a3b_hbs_constraint (core::pose::Pose &pose, core::Size oop_seq_position)
 Add constraints to keep a3b hydrogen bond surrogate (hbs) macrocycle closed, default values (distance = 1.52, std = 0.05) More...
 
void core::pose::ncbb::add_a3b_hbs_constraint (core::pose::Pose &pose, core::Size hbs_seq_position, core::Real distance, core::Real std)
 Add constraints to keep a3b hydrogen bond surrogate (hbs) ring closed. More...
 
void core::pose::ncbb::add_hbs_constraint (core::pose::Pose &pose, core::Size oop_seq_position)
 Add constraints to keep hydrogen bond surrogate (hbs) macrocycle closed, default values (distance = 1.52, std = 0.05) More...
 
void core::pose::ncbb::add_hbs_constraint (core::pose::Pose &pose, core::Size hbs_seq_position, core::Real distance, core::Real std)
 Add constraints to keep hydrogen bond surrogate (hbs) ring closed. More...
 
void core::pose::ncbb::constrain_ring_atoms (core::pose::Pose &pose, utility::vector1< core::id::AtomID > ids)
 
void core::pose::ncbb::add_triazole_constraint (core::pose::Pose &pose, core::Size triazole_seq_position)
 Add constraints to keep triazole closed. More...
 
utility::vector1< core::Sizecore::pose::ncbb::initialize_oops (Pose &pose)
 
void core::pose::ncbb::add_oop_constraint (core::pose::Pose &pose, core::Size oop_seq_position)
 Add constraints to keep oligooxopiperazine (oop) ring closed, default values (distance = 1.5, std = 0.05) More...
 
void core::pose::ncbb::add_oop_constraint (core::pose::Pose &pose, core::Size oop_seq_position, core::Real distance, core::Real std)
 Add constraints to keep oligooxopiperazine (oop) ring closed. More...
 

Detailed Description

Utility function definitions for poses with noncanonical backbones.

Author
kdrew
Andy Watkins

Function Documentation

static basic::Tracer TR ( "core.pose.ncbb.util"  )
static