Rosetta
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thioether_util.hh File Reference
#include <core/pose/Pose.fwd.hh>
#include <core/types.hh>
#include <protocols/simple_moves/DeclareBond.fwd.hh>

Namespaces

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

Functions

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...
 

Variables

constexpr core::Real protocols::cyclic_peptide::crosslinker::THIOETHER_UTIL_THIOETHER_BOND_LENGTH = 1.827
 
constexpr core::Real protocols::cyclic_peptide::crosslinker::THIOETHER_UTIL_THIOETHER_BOND_C_ANGLE = 1.781
 
constexpr core::Real protocols::cyclic_peptide::crosslinker::THIOETHER_UTIL_THIOETHER_BOND_N_ANGLE = 1.960