CrosslinkerMover.hh File Reference

This mover links two or more residues with a (possibly symmetric) cross-linker. It adds the crosslinker, sets up constraints, optionally packs and energy-mimizes it into place (packing/minimizing only the crosslinker and the side-chains to which it connects), and then optionally relaxes the whole structure. More...

#include <protocols/cyclic_peptide/CrosslinkerMover.fwd.hh>
#include <protocols/cyclic_peptide/crosslinker/CrosslinkerMoverHelper.fwd.hh>
#include <protocols/moves/Mover.hh>
#include <core/pose/Pose.fwd.hh>
#include <core/select/residue_selector/ResidueSelector.fwd.hh>
#include <core/scoring/ScoreFunction.fwd.hh>
#include <basic/datacache/DataMap.fwd.hh>
#include <utility/tag/XMLSchemaGeneration.fwd.hh>

Classes
class	protocols::cyclic_peptide::CrosslinkerMover
	This mover links two or more residues with a (possibly symmetric) cross-linker. It adds the crosslinker, sets up constraints, optionally packs and energy-mimizes it into place (packing/minimizing only the crosslinker and the side-chains to which it connects), and then optionally relaxes the whole structure. More...

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

Enumerations
enum class	protocols::cyclic_peptide::CrossLinker {   protocols::cyclic_peptide::no_crosslinker = 1 , protocols::cyclic_peptide::TBMB , protocols::cyclic_peptide::One_Four_BBMB , protocols::cyclic_peptide::TMA ,   protocols::cyclic_peptide::thioether , protocols::cyclic_peptide::lanthionine , protocols::cyclic_peptide::tetrahedral_metal , protocols::cyclic_peptide::octahedral_metal ,   protocols::cyclic_peptide::trigonal_planar_metal , protocols::cyclic_peptide::trigonal_pyramidal_metal , protocols::cyclic_peptide::square_planar_metal , protocols::cyclic_peptide::square_pyramidal_metal ,   protocols::cyclic_peptide::unknown_crosslinker , protocols::cyclic_peptide::end_of_crosslinker_list = unknown_crosslinker }
	Enumeration of allowed crosslinkers. More...

Functions
std::ostream &	protocols::cyclic_peptide::operator<< (std::ostream &os, CrosslinkerMover const &mover)

Detailed Description

This mover links two or more residues with a (possibly symmetric) cross-linker. It adds the crosslinker, sets up constraints, optionally packs and energy-mimizes it into place (packing/minimizing only the crosslinker and the side-chains to which it connects), and then optionally relaxes the whole structure.

Author

Vikram K. Mulligan (vmull.nosp@m.ig@u.nosp@m..wash.nosp@m.ingt.nosp@m.on.ed.nosp@m.u)