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thioether_util.cc File Reference
#include <protocols/cyclic_peptide/crosslinker/thioether_util.hh>
#include <core/pose/Pose.hh>
#include <core/pose/variant_util.hh>
#include <core/id/DOF_ID.hh>
#include <core/chemical/VariantType.hh>
#include <core/conformation/Conformation.hh>
#include <core/chemical/ResidueType.hh>
#include <core/scoring/func/HarmonicFunc.hh>
#include <core/scoring/func/CircularHarmonicFunc.hh>
#include <core/scoring/func/CharmmPeriodicFunc.hh>
#include <core/scoring/constraints/AngleConstraint.hh>
#include <core/scoring/constraints/AtomPairConstraint.hh>
#include <core/scoring/constraints/DihedralConstraint.hh>
#include <protocols/simple_moves/DeclareBond.hh>
#include <numeric/constants.hh>
#include <basic/Tracer.hh>

Namespaces

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

Functions

static basic::Tracer TR ("protocols.cyclic_peptide.crosslinker.util")
 
void protocols::cyclic_peptide::crosslinker::set_up_thioether_variants (core::pose::Pose &pose, core::Size const ntermres, core::Size const sidechainres)
 Given a pose and two residues, set up the thioether variant types. More...
 
void protocols::cyclic_peptide::crosslinker::set_up_thioether_bond_mover (protocols::simple_moves::DeclareBond &termini, core::pose::Pose const &pose, core::Size const ntermres, core::Size const sidechainres)
 Set up the mover that creates thioether lariat bonds. More...
 
void protocols::cyclic_peptide::crosslinker::correct_thioether_virtuals (core::pose::Pose &pose, core::Size const ntermres, core::Size const sidechainres)
 Correct the bond angles and bond lenghts for virtual atoms at thioether bonds. More...
 
void protocols::cyclic_peptide::crosslinker::set_up_thioether_constraints (core::pose::Pose &pose, core::Size const ntermres, core::Size const sidechainres)
 Given a pose and two residues to constrain (the first being the residue with the modified N-terminus, and the second being the one with the thiol-containing sidechain), add constraints for a thioether linkage. More...
 

Function Documentation

◆ TR()

static basic::Tracer TR ( "protocols.cyclic_peptide.crosslinker.util"  )
static