Rosetta
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lanthionine_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_lanthionine_variants (core::pose::Pose &pose, core::Size const dalares, core::Size const cysres)
 Given a pose and two residues, set up the lanthionine variant types. More...
 
void protocols::cyclic_peptide::crosslinker::set_up_lanthionine_bond_mover (protocols::simple_moves::DeclareBond &termini, core::pose::Pose const &pose, core::Size const dalares, core::Size const cysres)
 Set up the mover that creates lanthionine lariat bonds. More...
 
void protocols::cyclic_peptide::crosslinker::correct_lanthionine_virtuals (core::pose::Pose &pose, core::Size const dalares, core::Size const cysres)
 Correct the bond angles and bond lengths for virtual atoms at lanthionine bonds. More...
 
void protocols::cyclic_peptide::crosslinker::set_up_lanthionine_constraints (core::pose::Pose &pose, core::Size const dalares, core::Size const cysres)
 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 lanthionine linkage. More...
 

Variables

constexpr core::Real protocols::cyclic_peptide::crosslinker::LANTHIONINE_UTIL_LANTHIONINE_BOND_LENGTH = 1.807
 
constexpr core::Real protocols::cyclic_peptide::crosslinker::LANTHIONINE_UTIL_LANTHIONINE_BOND_C_ANGLE = 2.011
 
constexpr core::Real protocols::cyclic_peptide::crosslinker::LANTHIONINE_UTIL_LANTHIONINE_BOND_S_ANGLE = 1.801
 
constexpr core::Real protocols::cyclic_peptide::crosslinker::LANTHIONINE_UTIL_METHYLLANTHIONINE_BOND_CG_ANGLE = 1.864
 
constexpr core::Real protocols::cyclic_peptide::crosslinker::LANTHIONINE_UTIL_METHYLLANTHIONINE_BOND_CA_ANGLE = 1.963
 
constexpr core::Real protocols::cyclic_peptide::crosslinker::LANTHIONINE_UTIL_METHYLLANTHIONINE_BOND_CB_ANGLE = 1.927