Rosetta Protocols  2014.35
Classes | Namespaces
EnzdesTaskOperations.hh File Reference

a collection of Task operations used in enzyme design More...

#include <protocols/enzdes/EnzdesTaskOperations.fwd.hh>
#include <protocols/motifs/LigandMotifSearch.fwd.hh>
#include <core/pack/task/operation/TaskOperation.hh>
#include <core/types.hh>
#include <core/pose/Pose.fwd.hh>
#include <utility/tag/Tag.fwd.hh>
#include <utility/vector1.hh>
#include <set>
#include <string>


class  protocols::enzdes::SetCatalyticResPackBehavior
 queries the pose cst cache for the catalytic residues, and sets the behavior for them as specified in the cstfile More...
class  protocols::enzdes::DetectProteinLigandInterface
 Given a set of cut1/cut2/cut3/cut4 distance specifications, alter a packing task to set residues within alpha carbons within cut1 of a ligand (or within cut2 with beta carbons facing inwards) to redesign, and within cut3 (or cut4 facing inwards) to repack, and all others to fixed. If a resfile is provided, only do the detection for those residues set to AUTO in the resfile. More...
class  protocols::enzdes::ProteinLigandInterfaceUpweighter
 Class to alter a packer task to speficially upweight the protein-ligand interaction energies. More...
class  protocols::enzdes::AddRigidBodyLigandConfs
class  protocols::enzdes::AddLigandMotifRotamers


 The instance of Loops contained by AbrelaxApplication should be replaced by a LoopsOP.

Detailed Description

a collection of Task operations used in enzyme design

Florian Richter, Sinisa Bjelic (sbjel.nosp@m.ic@u.nosp@m..wash.nosp@m.ingt.nosp@m.on.ed.nosp@m.u), Rocco Moretti (rmore.nosp@m.tti@.nosp@m.u.was.nosp@m.hing.nosp@m.ton.e.nosp@m.du)