Rosetta 3.4
Public Types | Public Member Functions
protocols::ligand_docking::UnconstrainedTorsionsMover Class Reference

Juggles torsional constraints with packing or rotamer trials. More...

#include <UnconstrainedTorsionsMover.hh>

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List of all members.

Public Types

typedef utility::vector1
< ResidueTorsionRestraintsOP
Restraints

Public Member Functions

 UnconstrainedTorsionsMover (protocols::moves::MoverOP child_mover, Restraints restraints)
 UnconstrainedTorsionsMover (protocols::moves::MoverOP child_mover, std::set< ResidueTorsionRestraintsOP > restraints)
 UnconstrainedTorsionsMover (protocols::moves::MoverOP child_mover, MinimizeLigandOPs)
virtual ~UnconstrainedTorsionsMover ()
virtual void apply (core::pose::Pose &pose)
 Removes its constraints, runs mover, restores constraints.
virtual std::string get_name () const
 Each derived class must specify its name. The class name.

Detailed Description

Juggles torsional constraints with packing or rotamer trials.

Adds torsional constraints to the specified residue in the pose, but then removes them before running the supplied mover. They are then either restored (if no conformational change) or re-initialized. The supplied child_mover is expected to be either a full repack or rotamer trials.


Member Typedef Documentation


Constructor & Destructor Documentation

protocols::ligand_docking::UnconstrainedTorsionsMover::UnconstrainedTorsionsMover ( protocols::moves::MoverOP  child_mover,
Restraints  restraints 
)
protocols::ligand_docking::UnconstrainedTorsionsMover::UnconstrainedTorsionsMover ( protocols::moves::MoverOP  child_mover,
std::set< ResidueTorsionRestraintsOP restraints 
)
protocols::ligand_docking::UnconstrainedTorsionsMover::UnconstrainedTorsionsMover ( protocols::moves::MoverOP  child_mover,
MinimizeLigandOPs  minimize_ligands 
)
virtual protocols::ligand_docking::UnconstrainedTorsionsMover::~UnconstrainedTorsionsMover ( ) [inline, virtual]

Member Function Documentation

void protocols::ligand_docking::UnconstrainedTorsionsMover::apply ( core::pose::Pose pose) [virtual]

Removes its constraints, runs mover, restores constraints.

Implements protocols::moves::Mover.

std::string protocols::ligand_docking::UnconstrainedTorsionsMover::get_name ( ) const [virtual]

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

Implements protocols::moves::Mover.


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