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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/VirtualBase.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