nmrspinlabel_util.hh File Reference

utility functions for working with NMRSpinlabel class used both in PCSEnergy and PREEnergy More...

#include <utility/graph/Graph.fwd.hh>
#include <core/types.hh>
#include <core/scoring/nmr/NMRSpinlabel.hh>
#include <core/pack/task/PackerTask.fwd.hh>
#include <core/conformation/Residue.fwd.hh>
#include <core/scoring/ScoreFunction.hh>
#include <core/pose/Pose.fwd.hh>

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

Typedefs
typedef core::scoring::nmr::NMRSpinlabel::WeightCoordVector	protocols::nmr::WeightCoordVector

Functions
WeightCoordVector	protocols::nmr::filter_spinlabel_ensemble_by_packerenergy (core::pose::Pose const &pose, core::scoring::nmr::NMRSpinlabel &spinlabel, core::Size const spinlabel_position)
	energetic filter for spinlabel ensemble More...
core::PackerEnergy	protocols::nmr::bump_check (core::conformation::ResidueCOP rotamer, core::Size resid, core::scoring::ScoreFunction const &sf, core::pose::Pose const &pose, core::pack::task::PackerTask const &task, utility::graph::GraphCOP packer_neighbor_graph)
	computes the bump energy of a spinlabel conformer More...

Detailed Description

utility functions for working with NMRSpinlabel class used both in PCSEnergy and PREEnergy

last Modified: 09/24/17

Author

Georg Kuenze (georg.nosp@m..kue.nosp@m.nze@v.nosp@m.ande.nosp@m.rbilt.nosp@m..edu)