Rosetta 3.4
Public Types | Public Member Functions | Protected Member Functions
protocols::simple_moves::sidechain_moves::PerturbRotamerSidechainMover Class Reference

class for non-discrete side chain sampling using Dunbrack rotamer probabilities/distributions More...

#include <PerturbRotamerSidechainMover.hh>

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List of all members.

Public Types

typedef SidechainMoverBase Parent
typedef utility::vector1
< core::pack::dunbrack::DunbrackRotamerSampleData
RotamerList

Public Member Functions

 PerturbRotamerSidechainMover ()
 default constructor
 PerturbRotamerSidechainMover (core::pack::dunbrack::RotamerLibrary const &rotamer_library)
 constructor with user provided rotamer library
 PerturbRotamerSidechainMover (PerturbRotamerSidechainMover const &mover)
virtual protocols::moves::MoverOP clone () const
 clone has to be overridden only if clone invocation is expected.
virtual void 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)
 Called by MoverFactory when constructing new Movers. Takes care of the specific mover's parsing.
virtual void make_chi_move (core::conformation::Residue const &residue, ChiVector const &old_chi, ChiVector &new_chi)
virtual std::string get_name () const
 Each derived class must specify its name. The class name.
virtual core::Real compute_proposal_density (core::conformation::Residue const &new_residue, core::Size const resnum, core::chemical::ResidueType const &old_res_type, ChiVector const &old_chi) const
 all angles in degree
void set_temperature (core::Real setting)
core::Real temperature () const
void build_rotamer_list (core::conformation::Residue const &, bool filter, RotamerList &) const
 all angles in degree
void compute_rotdensities (RotamerList const &, ChiVector const &old_chi, ChiVector const &new_chi, core::Real &within_rot_density) const

Protected Member Functions

void set_defaults ()

Detailed Description

class for non-discrete side chain sampling using Dunbrack rotamer probabilities/distributions


Member Typedef Documentation


Constructor & Destructor Documentation

protocols::simple_moves::sidechain_moves::PerturbRotamerSidechainMover::PerturbRotamerSidechainMover ( )

default constructor

References protocols::moves::Mover::type().

Referenced by clone().

protocols::simple_moves::sidechain_moves::PerturbRotamerSidechainMover::PerturbRotamerSidechainMover ( core::pack::dunbrack::RotamerLibrary const &  rotamer_library)

constructor with user provided rotamer library

References set_defaults(), and protocols::moves::Mover::type().

protocols::simple_moves::sidechain_moves::PerturbRotamerSidechainMover::PerturbRotamerSidechainMover ( PerturbRotamerSidechainMover const &  mover)

References set_defaults().


Member Function Documentation

void protocols::simple_moves::sidechain_moves::PerturbRotamerSidechainMover::build_rotamer_list ( core::conformation::Residue const &  residue,
bool  filter,
RotamerList rotamers 
) const
protocols::moves::MoverOP protocols::simple_moves::sidechain_moves::PerturbRotamerSidechainMover::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.

Reimplemented in protocols::simple_moves::sidechain_moves::JumpRotamerSidechainMover.

References PerturbRotamerSidechainMover().

Real protocols::simple_moves::sidechain_moves::PerturbRotamerSidechainMover::compute_proposal_density ( core::conformation::Residue const &  new_residue,
core::Size const  resnum,
core::chemical::ResidueType const &  old_res_type,
ChiVector const &  old_chi 
) const [virtual]
void protocols::simple_moves::sidechain_moves::PerturbRotamerSidechainMover::compute_rotdensities ( RotamerList const &  rotamers,
ChiVector const &  old_chi,
ChiVector const &  new_chi,
core::Real within_rot_density 
) const

References temperature().

Referenced by compute_proposal_density().

std::string protocols::simple_moves::sidechain_moves::PerturbRotamerSidechainMover::get_name ( ) const [virtual]

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

Reimplemented from protocols::simple_moves::sidechain_moves::SidechainMoverBase.

Reimplemented in protocols::simple_moves::sidechain_moves::JumpRotamerSidechainMover.

void protocols::simple_moves::sidechain_moves::PerturbRotamerSidechainMover::make_chi_move ( core::conformation::Residue const &  residue,
ChiVector const &  old_chi,
ChiVector new_chi 
) [virtual]
void protocols::simple_moves::sidechain_moves::PerturbRotamerSidechainMover::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::simple_moves::sidechain_moves::SidechainMoverBase.

Reimplemented in protocols::simple_moves::sidechain_moves::JumpRotamerSidechainMover.

void protocols::simple_moves::sidechain_moves::PerturbRotamerSidechainMover::set_defaults ( ) [protected]
void protocols::simple_moves::sidechain_moves::PerturbRotamerSidechainMover::set_temperature ( core::Real  setting) [inline]
core::Real protocols::simple_moves::sidechain_moves::PerturbRotamerSidechainMover::temperature ( ) const [inline]

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