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core::pack::rotamer_set::UnboundRotamersOperation Class Reference

Adds in rotamers from the "unbound" or native structure(s), pulled from one or more PDBs supplied on the command line. More...

#include <UnboundRotamersOperation.hh>

Inheritance diagram for core::pack::rotamer_set::UnboundRotamersOperation:
Inheritance graph

Public Member Functions

 UnboundRotamersOperation ()
 ~UnboundRotamersOperation () override
virtual void add_pose (core::pose::PoseCOP pose)
 Adds rotamers from the specified pose to the unbound collection. More...
virtual Size total_residue ()
virtual void initialize_from_command_line ()
 Loads poses from the -unboundrot flag. More...
core::pack::rotamer_set::RotamerSetOperationOP clone () const override
void alter_rotamer_set (pose::Pose const &pose, scoring::ScoreFunction const &sfxn, task::PackerTask const &ptask, utility::graph::GraphCOP packer_neighbor_graph, core::pack::rotamer_set::RotamerSet &rotamer_set) override
- Public Member Functions inherited from core::pack::rotamer_set::RotamerSetOperation
 RotamerSetOperation ()
 ~RotamerSetOperation () override
virtual Real increase_packer_residue_radius (pose::Pose const &pose, task::PackerTaskCOP the_task, core::Size residue_in) const

Private Attributes

Size total_rot_
< core::pose::PoseCOP

Detailed Description

Adds in rotamers from the "unbound" or native structure(s), pulled from one or more PDBs supplied on the command line.

Sequence numbering matters – rotamers will only be added if sequence numbers match AND the ResidueType is allowed by the PackerTask. By itself, this class does NOT grant a Dunbrack energy bonus to the native rotamer(s).

Constructor & Destructor Documentation

core::pack::rotamer_set::UnboundRotamersOperation::UnboundRotamersOperation ( )
core::pack::rotamer_set::UnboundRotamersOperation::~UnboundRotamersOperation ( )

Member Function Documentation

void core::pack::rotamer_set::UnboundRotamersOperation::add_pose ( core::pose::PoseCOP  pose)

Adds rotamers from the specified pose to the unbound collection.

References poses_, and total_rot_.

Referenced by initialize_from_command_line().

void core::pack::rotamer_set::UnboundRotamersOperation::alter_rotamer_set ( pose::Pose const &  pose,
scoring::ScoreFunction const &  sfxn,
task::PackerTask const &  ptask,
utility::graph::GraphCOP  packer_neighbor_graph,
core::pack::rotamer_set::RotamerSet rotamer_set 
core::pack::rotamer_set::RotamerSetOperationOP core::pack::rotamer_set::UnboundRotamersOperation::clone ( ) const
void core::pack::rotamer_set::UnboundRotamersOperation::initialize_from_command_line ( )
Size core::pack::rotamer_set::UnboundRotamersOperation::total_residue ( )

References total_rot_.

Member Data Documentation

utility::vector1< core::pose::PoseCOP > core::pack::rotamer_set::UnboundRotamersOperation::poses_

Referenced by add_pose(), and alter_rotamer_set().

Size core::pack::rotamer_set::UnboundRotamersOperation::total_rot_

Referenced by add_pose(), and total_residue().

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