TryDisulfPermutations.cc File Reference

Tries all permutations of disulfide bonds between disulfide-forming residues in a pose. More...

#include <protocols/moves/Mover.fwd.hh>
#include <protocols/moves/Mover.hh>
#include <protocols/cyclic_peptide/TryDisulfPermutations.hh>
#include <protocols/cyclic_peptide/TryDisulfPermutationsCreator.hh>
#include <utility/tag/Tag.hh>
#include <utility/exit.hh>
#include <basic/Tracer.hh>
#include <core/types.hh>
#include <basic/datacache/DataMap.fwd.hh>
#include <basic/citation_manager/UnpublishedModuleInfo.hh>
#include <core/conformation/Residue.hh>
#include <core/conformation/util.hh>
#include <core/scoring/ScoreFunction.hh>
#include <protocols/minimization_packing/PackRotamersMover.hh>
#include <protocols/minimization_packing/MinMover.hh>
#include <core/pack/task/TaskFactory.hh>
#include <core/pack/task/operation/TaskOperations.hh>
#include <core/scoring/Energies.hh>
#include <core/kinematics/MoveMap.hh>
#include <core/select/residue_selector/ResidueSelector.hh>
#include <core/select/residue_selector/util.hh>
#include <utility/excn/Exceptions.hh>
#include <core/pose/Pose.hh>
#include <utility/tag/XMLSchemaGeneration.hh>
#include <protocols/moves/mover_schemas.hh>

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

Functions
static basic::Tracer	protocols::cyclic_peptide::TR ("protocols.cyclic_peptide.TryDisulfPermutations")

Detailed Description

Tries all permutations of disulfide bonds between disulfide-forming residues in a pose.

Performs a repack/minimize of the disulfide-forming residues with a simplified score function. Returns the permutation with the lowest disulfide energy.

Author

Vikram K. Mulligan (vmull.nosp@m.ig@u.nosp@m.w.edu)