Rosetta 3.4
Public Types | Public Member Functions
protocols::enzdes::LigInterfaceEnergyFilter Class Reference

#include <EnzFilters.hh>

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List of all members.

Public Types

typedef protocols::filters::Filter Filter
typedef
protocols::filters::FilterOP 
FilterOP
typedef
protocols::filters::Filters_map 
Filters_map

Public Member Functions

 LigInterfaceEnergyFilter ()
 LigInterfaceEnergyFilter (core::scoring::ScoreFunctionOP scorefxn, core::Real const threshold, bool const include_cstE=false, core::Size const rb_jump=1, core::Real const interface_distance_cutoff=8.0)
 LigInterfaceEnergyFilter (LigInterfaceEnergyFilter const &init)
bool apply (core::pose::Pose const &pose) const
 Returns true if the given pose passes the filter, false otherwise.
FilterOP clone () const
FilterOP fresh_instance () const
void report (std::ostream &out, core::pose::Pose const &pose) const
core::Real report_sm (core::pose::Pose const &pose) const
 used to report filter internals through a score or silent file
core::Real compute (core::pose::Pose const &pose) const
core::Real constraint_energy (core::pose::Pose const &pose, int which_res) const
virtual ~LigInterfaceEnergyFilter ()
void parse_my_tag (utility::tag::TagPtr const tag, protocols::moves::DataMap &, Filters_map const &, protocols::moves::Movers_map const &, core::pose::Pose const &pose)

Member Typedef Documentation


Constructor & Destructor Documentation

protocols::enzdes::LigInterfaceEnergyFilter::LigInterfaceEnergyFilter ( ) [inline]

Referenced by clone(), and fresh_instance().

protocols::enzdes::LigInterfaceEnergyFilter::LigInterfaceEnergyFilter ( core::scoring::ScoreFunctionOP  scorefxn,
core::Real const  threshold,
bool const  include_cstE = false,
core::Size const  rb_jump = 1,
core::Real const  interface_distance_cutoff = 8.0 
)
protocols::enzdes::LigInterfaceEnergyFilter::LigInterfaceEnergyFilter ( LigInterfaceEnergyFilter const &  init)
protocols::enzdes::LigInterfaceEnergyFilter::~LigInterfaceEnergyFilter ( ) [virtual]

Member Function Documentation

bool protocols::enzdes::LigInterfaceEnergyFilter::apply ( core::pose::Pose const &  pose) const [virtual]

Returns true if the given pose passes the filter, false otherwise.

Implements protocols::filters::Filter.

References compute(), core::pose::Pose::conformation(), core::conformation::Conformation::num_chains(), and protocols::enzdes::TR().

FilterOP protocols::enzdes::LigInterfaceEnergyFilter::clone ( ) const [inline, virtual]
core::Real protocols::enzdes::LigInterfaceEnergyFilter::compute ( core::pose::Pose const &  pose) const
core::Real protocols::enzdes::LigInterfaceEnergyFilter::constraint_energy ( core::pose::Pose const &  pose,
int  which_res 
) const
FilterOP protocols::enzdes::LigInterfaceEnergyFilter::fresh_instance ( ) const [inline, virtual]
void protocols::enzdes::LigInterfaceEnergyFilter::parse_my_tag ( utility::tag::TagPtr const  tag,
protocols::moves::DataMap data,
Filters_map const &  ,
protocols::moves::Movers_map const &  ,
core::pose::Pose const &  pose 
) [virtual]
void protocols::enzdes::LigInterfaceEnergyFilter::report ( std::ostream &  out,
core::pose::Pose const &  pose 
) const [virtual]
core::Real protocols::enzdes::LigInterfaceEnergyFilter::report_sm ( core::pose::Pose const &  ) const [virtual]

used to report filter internals through a score or silent file

Reimplemented from protocols::filters::Filter.

References compute().


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