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HBondReporter Class Reference
Inheritance diagram for HBondReporter:
Inheritance graph
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Public Member Functions

 HBondReporter ()
 
 ~HBondReporter () override=default
 
std::string get_name () const override
 
void load_job_data (Pose &pose)
 What is this for? More...
 
std::string pose_name (pose::Pose &pose)
 Returns a string representing the name of this pose. Uses the pdb_info object or the job distributor tag if no pdb_info object exists. More...
 
Real bfactor (pose::Pose &pose, Size resNum, Size atm, bool is_backbone)
 Runs a "simple multi relax" protocol on the whole pose, or if the relevant chains flag was used on just the relevant chains. But only if the relax flag was specified. I want this executable/mover to only print Hbond info. If a user wants to relax their structure or do st else to it, they need to run that protocol first and then use this one to get Hbond info. More...
 
void apply (pose::Pose &pose) override
 

Private Attributes

bool allowNonProtein_ { true }
 
core::scoring::ScoreFunctionOP scfxn
 
std::string relevant_chains_
 

Constructor & Destructor Documentation

HBondReporter::HBondReporter ( )
inline
HBondReporter::~HBondReporter ( )
overridedefault

Member Function Documentation

void HBondReporter::apply ( pose::Pose pose)
inlineoverride
Real HBondReporter::bfactor ( pose::Pose pose,
Size  resNum,
Size  atm,
bool  is_backbone 
)
inline

Runs a "simple multi relax" protocol on the whole pose, or if the relevant chains flag was used on just the relevant chains. But only if the relax flag was specified. I want this executable/mover to only print Hbond info. If a user wants to relax their structure or do st else to it, they need to run that protocol first and then use this one to get Hbond info.

Given a pose and a residue position, returns the bfactor for that residue. Why do we care about bfactors?

References test.T200_Scoring::ii, and max().

std::string HBondReporter::get_name ( ) const
inlineoverride
void HBondReporter::load_job_data ( Pose pose)
inline
std::string HBondReporter::pose_name ( pose::Pose pose)
inline

Returns a string representing the name of this pose. Uses the pdb_info object or the job distributor tag if no pdb_info object exists.

References name.

Member Data Documentation

bool HBondReporter::allowNonProtein_ { true }
private
std::string HBondReporter::relevant_chains_
private
core::scoring::ScoreFunctionOP HBondReporter::scfxn
private

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