EnzdesMovers.hh File Reference

a collection of movers that are used at different stages in enzyme design More...

#include <protocols/enzdes/EnzdesMovers.fwd.hh>
#include <protocols/toolbox/match_enzdes_util/EnzConstraintIO.hh>
#include <protocols/rigid/RigidBodyMover.hh>
#include <basic/datacache/DataMap.fwd.hh>
#include <protocols/filters/Filter.fwd.hh>
#include <core/scoring/constraints/AtomPairConstraint.fwd.hh>
#include <core/scoring/constraints/MultiConstraint.fwd.hh>
#include <core/scoring/ScoreFunction.fwd.hh>
#include <core/io/silent/SilentEnergy.hh>
#include <core/pose/Pose.fwd.hh>
#include <core/pack/task/PackerTask.fwd.hh>
#include <core/pack/task/TaskFactory.fwd.hh>
#include <utility/pointer/ReferenceCount.hh>
#include <utility/tag/Tag.fwd.hh>
#include <utility/vector1.hh>

Classes
class	protocols::enzdes::EnzdesConstraintReporter
class	protocols::enzdes::PredesignPerturbMover
class	protocols::enzdes::RepackLigandSiteWithoutLigandMover
	class that will identify the region around the ligand, remove it, and then do a repack. It can also calculate the following parameters: E diff after the repack, (in essence a crude delta G calc) rmsd of the repacked site after the repack and rmsd of catalytic residues More...
class	protocols::enzdes::UpdateEnzdesHeaderMover
	mover that updates the enzdes pdb header, for use in cases where catalytic residues may be designed More...

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

Detailed Description

a collection of movers that are used at different stages in enzyme design

Author

Sinisa Bjelic sinib.nosp@m.jeli.nosp@m.c@gma.nosp@m.il.c.nosp@m.om, Florian Richter, flori.nosp@m.c@u..nosp@m.washi.nosp@m.ngto.nosp@m.n.edu

Sinisa Bjelic, Florian Richter, flori.nosp@m.c@u..nosp@m.washi.nosp@m.ngto.nosp@m.n.edu