Rosetta 3.4
Public Member Functions
protocols::enzdes::PredesignPerturbMover Class Reference

#include <EnzdesMovers.hh>

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List of all members.

Public Member Functions

 PredesignPerturbMover ()
 ~PredesignPerturbMover ()
void set_docking_pose (core::pose::Pose &pose, core::pack::task::PackerTaskCOP task)
void reinstate_pose (core::pose::Pose &pose, core::pose::Pose const &old_Pose)
void add_constrained_lig_atoms_from_multiconstraint (core::scoring::constraints::MultiConstraintCOP real_multi_constraint)
void add_constrained_lig_atom (core::Size atom_no)
void find_constraints_to_ligand (core::pose::Pose const &pose)
void apply (core::pose::Pose &pose)
virtual std::string get_name () const
 Each derived class must specify its name. The class name.
void set_ligand (core::Size res_no)
utility::vector1< core::Sizeget_constrained_lig_atoms () const
core::Vector find_rotation_center (core::pose::Pose const &pose)
core::Vector find_geometric_center_for_constrained_lig_atoms (core::pose::Pose const &pose)
void parse_my_tag (utility::tag::TagPtr const tag, protocols::moves::DataMap &, protocols::filters::Filters_map const &, protocols::moves::Movers_map const &, core::pose::Pose const &)
 Called by MoverFactory when constructing new Movers. Takes care of the specific mover's parsing.
protocols::moves::MoverOP clone () const
 clone has to be overridden only if clone invocation is expected.
protocols::moves::MoverOP fresh_instance () const
 this is like clone(), except it generates a new mover object freshly created with the default ctor. This function _should_ be pure virtual but that would disrupt the code base; MAKE SURE YOU DEFINE IT if you want to have your mover be a protocol handed to the job distributor (august 08 vintage).

Constructor & Destructor Documentation

protocols::enzdes::PredesignPerturbMover::PredesignPerturbMover ( )
protocols::enzdes::PredesignPerturbMover::~PredesignPerturbMover ( )

Member Function Documentation

void protocols::enzdes::PredesignPerturbMover::add_constrained_lig_atom ( core::Size  atom_no)
void protocols::enzdes::PredesignPerturbMover::add_constrained_lig_atoms_from_multiconstraint ( core::scoring::constraints::MultiConstraintCOP  real_multi_constraint)
void protocols::enzdes::PredesignPerturbMover::apply ( core::pose::Pose pose) [virtual]
protocols::moves::MoverOP protocols::enzdes::PredesignPerturbMover::clone ( ) const [virtual]

clone has to be overridden only if clone invocation is expected.

clone is meant to return an OP'ed deep copy of this object. This really should be a pure virtual in the base class, but adding pure virtuals to Mover would massively disrupt the code. This default implementation crashes at runtime instead of compiletime if you try to call it. If this code is causing you problems, your Mover needs to override this function.

Reimplemented from protocols::moves::Mover.

References PredesignPerturbMover().

void protocols::enzdes::PredesignPerturbMover::find_constraints_to_ligand ( core::pose::Pose const &  pose)
core::Vector protocols::enzdes::PredesignPerturbMover::find_geometric_center_for_constrained_lig_atoms ( core::pose::Pose const &  pose)
core::Vector protocols::enzdes::PredesignPerturbMover::find_rotation_center ( core::pose::Pose const &  pose)
protocols::moves::MoverOP protocols::enzdes::PredesignPerturbMover::fresh_instance ( ) const [virtual]

this is like clone(), except it generates a new mover object freshly created with the default ctor. This function _should_ be pure virtual but that would disrupt the code base; MAKE SURE YOU DEFINE IT if you want to have your mover be a protocol handed to the job distributor (august 08 vintage).

fresh_instance is meant to return a new object of this class, created with the default constructor. This really should be a pure virtual in the base class, but adding pure virtuals to Mover would massively disrupt the code. This default implementation crashes at runtime instead of compiletime if you try to call it. If this code is causing you problems, your Mover needs to override this function. This is used by the August 08 job distributor.

Reimplemented from protocols::moves::Mover.

utility::vector1< core::Size > protocols::enzdes::PredesignPerturbMover::get_constrained_lig_atoms ( ) const [inline]
std::string protocols::enzdes::PredesignPerturbMover::get_name ( ) const [virtual]

Each derived class must specify its name. The class name.

Reimplemented from protocols::rigid::RigidBodyPerturbMover.

void protocols::enzdes::PredesignPerturbMover::parse_my_tag ( utility::tag::TagPtr const  tag,
protocols::moves::DataMap data,
protocols::filters::Filters_map const &  filters,
protocols::moves::Movers_map const &  movers,
core::pose::Pose const &  pose 
) [virtual]

Called by MoverFactory when constructing new Movers. Takes care of the specific mover's parsing.

Some movers need not be parsed, so we shouldn't stop executions. This, however, calls attention to the lack of this method, which could be due to something as silly as a wrong parameters definition.

Reimplemented from protocols::moves::Mover.

References core::kinematics::FoldTree::downstream_jump_residue(), core::pose::Pose::fold_tree(), core::pose::Pose::num_jump(), protocols::rigid::RigidBodyPerturbMover::rot_magnitude(), and protocols::rigid::RigidBodyPerturbMover::trans_magnitude().

void protocols::enzdes::PredesignPerturbMover::reinstate_pose ( core::pose::Pose pose,
core::pose::Pose const &  old_Pose 
)
void protocols::enzdes::PredesignPerturbMover::set_docking_pose ( core::pose::Pose pose,
core::pack::task::PackerTaskCOP  task 
)
void protocols::enzdes::PredesignPerturbMover::set_ligand ( core::Size  res_no) [inline]

The documentation for this class was generated from the following files:
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