Rosetta Protocols  2014.35
Public Types | Public Member Functions | Static Public Member Functions | Private Attributes | List of all members
protocols::enzdes::ProteinLigandInterfaceUpweighter Class Reference

Class to alter a packer task to speficially upweight the protein-ligand interaction energies. More...

#include <EnzdesTaskOperations.hh>

Public Types

typedef
core::pack::task::operation::TaskOperationOP 
TaskOperationOP
 
typedef core::pose::Pose Pose
 
typedef
core::pack::task::PackerTask 
PackerTask
 

Public Member Functions

 ProteinLigandInterfaceUpweighter ()
 
 ~ProteinLigandInterfaceUpweighter ()
 
virtual TaskOperationOP clone () const
 
void init_from_options ()
 Initialize the class based on the command line options. More...
 
virtual void apply (Pose const &pose, PackerTask &task) const
 Change a packer task in some way. The input pose is the one to which the input task will be later applied. More...
 
virtual void parse_tag (TagCOP, DataMap &)
 
bool get_weight () const
 
void set_weight (bool const weight_in)
 

Static Public Member Functions

static void register_options ()
 

Private Attributes

core::Real lig_packer_weight_
 Reweight protein-ligand interaction by a factor of lig_packer_weight_. More...
 
core::Real catres_packer_weight_
 

Detailed Description

Class to alter a packer task to speficially upweight the protein-ligand interaction energies.

Member Typedef Documentation

Constructor & Destructor Documentation

protocols::enzdes::ProteinLigandInterfaceUpweighter::ProteinLigandInterfaceUpweighter ( )
protocols::enzdes::ProteinLigandInterfaceUpweighter::~ProteinLigandInterfaceUpweighter ( )

Member Function Documentation

void protocols::enzdes::ProteinLigandInterfaceUpweighter::apply ( Pose const &  pose,
PackerTask task 
) const
virtual
core::pack::task::operation::TaskOperationOP protocols::enzdes::ProteinLigandInterfaceUpweighter::clone ( ) const
virtual
bool protocols::enzdes::ProteinLigandInterfaceUpweighter::get_weight ( ) const
inline

References lig_packer_weight_.

void protocols::enzdes::ProteinLigandInterfaceUpweighter::init_from_options ( )

Initialize the class based on the command line options.

References basic::options::OptionKeys::enzdes::lig_packer_weight, and basic::options::option.

void protocols::enzdes::ProteinLigandInterfaceUpweighter::parse_tag ( TagCOP  tag,
DataMap  
)
virtual
void protocols::enzdes::ProteinLigandInterfaceUpweighter::register_options ( )
static
void protocols::enzdes::ProteinLigandInterfaceUpweighter::set_weight ( bool const  weight_in)
inline

References lig_packer_weight_.

Member Data Documentation

core::Real protocols::enzdes::ProteinLigandInterfaceUpweighter::catres_packer_weight_
private
core::Real protocols::enzdes::ProteinLigandInterfaceUpweighter::lig_packer_weight_
private

Reweight protein-ligand interaction by a factor of lig_packer_weight_.

Referenced by get_weight(), and set_weight().


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