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protocols::match::upstream::DunbrackSCSampler Class Reference

Basic class for sidechain sampling that pulls data from the Dunbrack rotamer library. The samples that are returned are the basic rotamers and do not include any expansions by the "ex" flags. More...

#include <ProteinSCSampler.hh>

Inheritance diagram for protocols::match::upstream::DunbrackSCSampler:
Inheritance graph
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Public Member Functions

 DunbrackSCSampler ()
 
void set_desymmeterize (bool setting)
 Should amino acids that are symmetric about their final chi torsion be treated as if they actually are not symmetric? This can be useful if you want to set a constraint to one side of the amino acid and a second constraint to the other side. E.g., let's say you want OD1 on ASP to contact one thing 1, and OD2 to contact thing 2. If you were to specify the constraint to atom type OOC, then you wouldn't be able to prevent the case where OD1 contacted both things. This functionality can be activated in the matcher constraint file by adding DESYMMETERIZE to the ALGORITHM_INFO:: block in a matcher constraint file. E.g. <APL NOTE: FILL IN THE REST OF THE COMMENTS HERE> More...
 
bool desymmeterize () const
 
DunbrackRotamerSampleDataVector samples (ScaffoldBuildPoint const &bb_conf, core::chemical::ResidueType const &restype) const override
 
- Public Member Functions inherited from protocols::match::upstream::ProteinSCSampler
 ~ProteinSCSampler () override
 

Private Attributes

bool desymmeterize_
 

Additional Inherited Members

- Public Types inherited from protocols::match::upstream::ProteinSCSampler
typedef
core::pack::dunbrack::DunbrackRotamerSampleData 
DunbrackRotamerSampleData
 
typedef utility::vector1
< DunbrackRotamerSampleData
DunbrackRotamerSampleDataVector
 

Detailed Description

Basic class for sidechain sampling that pulls data from the Dunbrack rotamer library. The samples that are returned are the basic rotamers and do not include any expansions by the "ex" flags.

Constructor & Destructor Documentation

protocols::match::upstream::DunbrackSCSampler::DunbrackSCSampler ( )

Member Function Documentation

bool protocols::match::upstream::DunbrackSCSampler::desymmeterize ( ) const

References desymmeterize_.

DunbrackSCSampler::DunbrackRotamerSampleDataVector protocols::match::upstream::DunbrackSCSampler::samples ( ScaffoldBuildPoint const &  bb_conf,
core::chemical::ResidueType const &  restype 
) const
overridevirtual
void protocols::match::upstream::DunbrackSCSampler::set_desymmeterize ( bool  setting)

Should amino acids that are symmetric about their final chi torsion be treated as if they actually are not symmetric? This can be useful if you want to set a constraint to one side of the amino acid and a second constraint to the other side. E.g., let's say you want OD1 on ASP to contact one thing 1, and OD2 to contact thing 2. If you were to specify the constraint to atom type OOC, then you wouldn't be able to prevent the case where OD1 contacted both things. This functionality can be activated in the matcher constraint file by adding DESYMMETERIZE to the ALGORITHM_INFO:: block in a matcher constraint file. E.g. <APL NOTE: FILL IN THE REST OF THE COMMENTS HERE>

References desymmeterize_.

Member Data Documentation

bool protocols::match::upstream::DunbrackSCSampler::desymmeterize_
private

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