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Public Types | Public Member Functions | Private Attributes | List of all members
protocols::protein_interface_design::Revert Class Reference

#include <design_utils.hh>

Public Types

typedef
core::scoring::ScoreFunction 
ScoreFunction
 
typedef
core::scoring::ScoreFunctionOP 
ScoreFunctionOP
 
typedef
core::scoring::ScoreFunctionCOP 
ScoreFunctionCOP
 

Public Member Functions

 Revert (ScoreFunctionCOP scorefxn, core::Real const ddg_tolerance, core::Size ddg_cycles=5)
 
 Revert (Revert const &init)
 
void apply (core::pose::Pose &pose_wt, core::pose::Pose &pose_des) const
 
virtual ~Revert ()=default
 

Private Attributes

core::scoring::ScoreFunctionOP scorefxn_
 
core::Real ddg_tolerance_
 
core::Size ddg_cycles_
 

Detailed Description

class Revert takes in 'wt' and 'designed' poses and attempts to revert all substitutions in the design to their wt identities. Each substitution is tried separately in the context of the designed protein and reversions that don't adversely affect ddg are made. If the energy of the residue in the design is higher than 0, but the reversion did not succeed, Revert will attempt an Ala substitution.

Member Typedef Documentation

Constructor & Destructor Documentation

protocols::protein_interface_design::Revert::Revert ( ScoreFunctionCOP  scorefxn,
core::Real const  ddg_tolerance,
core::Size  ddg_cycles = 5 
)
inline
protocols::protein_interface_design::Revert::Revert ( Revert const &  init)
inline
virtual protocols::protein_interface_design::Revert::~Revert ( )
virtualdefault

Member Function Documentation

void protocols::protein_interface_design::Revert::apply ( core::pose::Pose pose_wt,
core::pose::Pose pose_des 
) const

Member Data Documentation

core::Size protocols::protein_interface_design::Revert::ddg_cycles_
private

Referenced by Revert().

core::Real protocols::protein_interface_design::Revert::ddg_tolerance_
private

Referenced by Revert().

core::scoring::ScoreFunctionOP protocols::protein_interface_design::Revert::scorefxn_
private

Referenced by Revert().


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