disulfide_util.hh File Reference

A collection of procedures for manipulating disulfide bonds. More...

#include <core/types.hh>
#include <core/kinematics/MoveMap.fwd.hh>
#include <core/pack/task/PackerTask.fwd.hh>
#include <core/pose/Pose.fwd.hh>
#include <core/scoring/ScoreFunction.fwd.hh>
#include <utility/vector1.hh>

Namespaces
	core
	A class for reading in the atom type properties.
	core::util

Functions
void	core::util::rebuild_disulfide (core::pose::Pose &pose, core::Size lower_res, core::Size upper_res, core::Size const threads_to_request, core::pack::task::PackerTaskOP packer_task=nullptr, core::scoring::ScoreFunctionOP packer_score=nullptr, core::kinematics::MoveMapOP mm=nullptr, core::scoring::ScoreFunctionOP minimizer_score=nullptr)
	Rebuild a pair of cysteines (and possibly surrounding residues) so that they form a near-ideal disulfide bond. Supports symmetric poses. More...
void	core::util::rebuild_disulfide (core::pose::Pose &pose, utility::vector1< std::pair< core::Size, core::Size > > disulfides, core::Size const threads_to_request, core::pack::task::PackerTaskOP packer_task=nullptr, core::scoring::ScoreFunctionOP packer_score=nullptr, core::kinematics::MoveMapOP mm=nullptr, core::scoring::ScoreFunctionOP minimizer_score=nullptr)
	Rebuild a number of pairs of cysteines (and possibly surrounding residues) so that they form near-ideal disulfide bonds. More...

Detailed Description

A collection of procedures for manipulating disulfide bonds.

Author

Spencer Bliven blive.nosp@m.ns@u.nosp@m..wash.nosp@m.ingt.nosp@m.on.ed.nosp@m.u

Date

4/30/2009 @modified Vikram K. Mulligan (vmull.nosp@m.igan.nosp@m.@flat.nosp@m.iron.nosp@m.insti.nosp@m.tue..nosp@m.org) to allow multi-threaded interaction graph setup.