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

◆ ScoreFunction

◆ ScoreFunctionCOP

◆ ScoreFunctionOP

Constructor & Destructor Documentation

◆ Revert() [1/2]

protocols::protein_interface_design::Revert::Revert ( ScoreFunctionCOP  scorefxn,
core::Real const  ddg_tolerance,
core::Size  ddg_cycles = 5 

◆ Revert() [2/2]

protocols::protein_interface_design::Revert::Revert ( Revert const &  init)

◆ ~Revert()

virtual protocols::protein_interface_design::Revert::~Revert ( )

Member Function Documentation

◆ apply()

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

Member Data Documentation

◆ ddg_cycles_

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

Referenced by Revert().

◆ ddg_tolerance_

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

Referenced by Revert().

◆ scorefxn_

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

Referenced by Revert().

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