Rosetta 3.4
Public Member Functions
protocols::simple_filters::RotamerBoltzmannWeight Class Reference

#include <RotamerBoltzmannWeight.hh>

Inheritance diagram for protocols::simple_filters::RotamerBoltzmannWeight:
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List of all members.

Public Member Functions

 RotamerBoltzmannWeight ()
 default ctor
virtual bool apply (core::pose::Pose const &pose) const
 Constructor with a single target residue.
virtual void report (std::ostream &out, core::pose::Pose const &pose) const
virtual core::Real report_sm (core::pose::Pose const &pose) const
 used to report filter internals through a score or silent file
virtual
protocols::filters::FilterOP 
clone () const
virtual
protocols::filters::FilterOP 
fresh_instance () const
core::Real compute (core::pose::Pose const &pose) const
virtual ~RotamerBoltzmannWeight ()
core::pack::task::TaskFactoryOP task_factory () const
void task_factory (core::pack::task::TaskFactoryOP task_factory)
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 &)
utility::vector1< core::Sizefirst_pass_ala_scan (core::pose::Pose const &pose) const
core::Real compute_Boltzmann_weight (core::pose::Pose const &pose, core::Size const resi) const
void rb_jump (core::Size const jump)
core::Size rb_jump () const
void repacking_radius (core::Real const rad)
core::Real repacking_radius () const
core::Real ddG_threshold () const
void ddG_threshold (core::Real const ddG)
void scorefxn (core::scoring::ScoreFunctionOP scorefxn)
core::scoring::ScoreFunctionOP scorefxn () const
core::Real temperature () const
void temperature (core::Real const temp)
bool unbound () const
void unbound (bool const u)
void threshold_probability (core::chemical::AA const aa_type, core::Real const probability)
core::Real threshold_probability (core::chemical::AA const aa_type) const
void energy_reduction_factor (core::Real const factor)
core::Real energy_reduction_factor () const
core::Real interface_interaction_energy (core::pose::Pose const &pose, core::Size const res) const
bool compute_entropy_reduction () const
void compute_entropy_reduction (bool const cer)
void repack (bool const repack)
bool repack () const
bool skip_ala_scan () const
void skip_ala_scan (bool const s)
std::string type () const
void type (std::string const &s)
core::Real compute_modified_ddG (core::pose::Pose const &pose, std::ostream &out) const
 Note that compute( pose ) needs to have been run first. This merely sums over the probabilities.

Constructor & Destructor Documentation

protocols::simple_filters::RotamerBoltzmannWeight::RotamerBoltzmannWeight ( )
protocols::simple_filters::RotamerBoltzmannWeight::~RotamerBoltzmannWeight ( ) [virtual]

Member Function Documentation

bool protocols::simple_filters::RotamerBoltzmannWeight::apply ( core::pose::Pose const &  pose) const [virtual]

Constructor with a single target residue.

Implements protocols::filters::Filter.

protocols::filters::FilterOP protocols::simple_filters::RotamerBoltzmannWeight::clone ( ) const [virtual]
core::Real protocols::simple_filters::RotamerBoltzmannWeight::compute ( core::pose::Pose const &  pose) const
core::Real protocols::simple_filters::RotamerBoltzmannWeight::compute_Boltzmann_weight ( core::pose::Pose const &  pose,
core::Size const  resi 
) const
bool protocols::simple_filters::RotamerBoltzmannWeight::compute_entropy_reduction ( ) const

Referenced by parse_my_tag().

void protocols::simple_filters::RotamerBoltzmannWeight::compute_entropy_reduction ( bool const  cer)
core::Real protocols::simple_filters::RotamerBoltzmannWeight::compute_modified_ddG ( core::pose::Pose const &  pose,
std::ostream &  out 
) const
void protocols::simple_filters::RotamerBoltzmannWeight::ddG_threshold ( core::Real const  ddG)
core::Real protocols::simple_filters::RotamerBoltzmannWeight::ddG_threshold ( ) const
void protocols::simple_filters::RotamerBoltzmannWeight::energy_reduction_factor ( core::Real const  factor)
core::Real protocols::simple_filters::RotamerBoltzmannWeight::energy_reduction_factor ( ) const
utility::vector1< core::Size > protocols::simple_filters::RotamerBoltzmannWeight::first_pass_ala_scan ( core::pose::Pose const &  pose) const
protocols::filters::FilterOP protocols::simple_filters::RotamerBoltzmannWeight::fresh_instance ( ) const [virtual]
core::Real protocols::simple_filters::RotamerBoltzmannWeight::interface_interaction_energy ( core::pose::Pose const &  pose,
core::Size const  res 
) const
void protocols::simple_filters::RotamerBoltzmannWeight::parse_my_tag ( utility::tag::TagPtr const  tag,
protocols::moves::DataMap data,
protocols::filters::Filters_map const &  ,
protocols::moves::Movers_map const &  ,
core::pose::Pose const &   
) [virtual]
core::Size protocols::simple_filters::RotamerBoltzmannWeight::rb_jump ( ) const
void protocols::simple_filters::RotamerBoltzmannWeight::rb_jump ( core::Size const  jump)
bool protocols::simple_filters::RotamerBoltzmannWeight::repack ( ) const
void protocols::simple_filters::RotamerBoltzmannWeight::repack ( bool const  repack)

References repack().

core::Real protocols::simple_filters::RotamerBoltzmannWeight::repacking_radius ( ) const
void protocols::simple_filters::RotamerBoltzmannWeight::repacking_radius ( core::Real const  rad)
void protocols::simple_filters::RotamerBoltzmannWeight::report ( std::ostream &  out,
core::pose::Pose const &  pose 
) const [virtual]
core::Real protocols::simple_filters::RotamerBoltzmannWeight::report_sm ( core::pose::Pose const &  ) const [virtual]

used to report filter internals through a score or silent file

Reimplemented from protocols::filters::Filter.

References compute(), and compute_modified_ddG().

core::scoring::ScoreFunctionOP protocols::simple_filters::RotamerBoltzmannWeight::scorefxn ( ) const
void protocols::simple_filters::RotamerBoltzmannWeight::scorefxn ( core::scoring::ScoreFunctionOP  scorefxn)
void protocols::simple_filters::RotamerBoltzmannWeight::skip_ala_scan ( bool const  s)
bool protocols::simple_filters::RotamerBoltzmannWeight::skip_ala_scan ( ) const
void protocols::simple_filters::RotamerBoltzmannWeight::task_factory ( core::pack::task::TaskFactoryOP  task_factory)

References task_factory().

core::pack::task::TaskFactoryOP protocols::simple_filters::RotamerBoltzmannWeight::task_factory ( ) const
void protocols::simple_filters::RotamerBoltzmannWeight::temperature ( core::Real const  temp)
core::Real protocols::simple_filters::RotamerBoltzmannWeight::temperature ( ) const
core::Real protocols::simple_filters::RotamerBoltzmannWeight::threshold_probability ( core::chemical::AA const  aa_type) const
void protocols::simple_filters::RotamerBoltzmannWeight::threshold_probability ( core::chemical::AA const  aa_type,
core::Real const  probability 
)
void protocols::simple_filters::RotamerBoltzmannWeight::type ( std::string const &  s)
std::string protocols::simple_filters::RotamerBoltzmannWeight::type ( ) const
bool protocols::simple_filters::RotamerBoltzmannWeight::unbound ( ) const
void protocols::simple_filters::RotamerBoltzmannWeight::unbound ( bool const  u)

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