Rosetta Protocols  2014.35
Namespaces | Variables
TaskAwareScoreTypeFilter.cc File Reference

Formerly devel/matdes/AverageInterfaceEnergyFilter. Calculates/filters based on a particular score type over the set of packable residues specified by the user-provided task operations. Can be calculate in either the bound or unbound state (a jump or sym_dof_names must be provided to create the unbound pose). Can operate in 1 of 3 modes: 1) if mode=total then compute function returns the total score over all packable residues and the apply function returns true if the total score is less than or equal to the user-specified threshold (false otherwise), 2) if mode=average then the compute function returns the average score over all packable residues and the apply function returns true if the average score is less than or equal to the user-specified threshold (false otherwise), and 3) if mode=individual then the compute function returns the number of individual residues that do not pass the user-specified score type threshold and the apply function returns true if all residues passed the user-specified threshold (false otherwise). More...

#include <protocols/simple_filters/TaskAwareScoreTypeFilter.hh>
#include <protocols/simple_filters/TaskAwareScoreTypeFilterCreator.hh>
#include <core/pose/Pose.hh>
#include <core/pose/PDBInfo.hh>
#include <core/conformation/Residue.hh>
#include <utility/tag/Tag.hh>
#include <protocols/filters/Filter.hh>
#include <basic/datacache/DataMap.hh>
#include <basic/Tracer.hh>
#include <core/pack/task/TaskFactory.hh>
#include <core/pack/task/PackerTask.hh>
#include <protocols/rosetta_scripts/util.hh>
#include <protocols/elscripts/util.hh>
#include <core/scoring/ScoreFunction.hh>
#include <core/scoring/Energies.hh>
#include <protocols/rigid/RigidBodyMover.hh>
#include <utility/string_util.hh>
#include <core/scoring/methods/EnergyMethodOptions.hh>
#include <core/scoring/hbonds/HBondOptions.hh>
#include <core/scoring/hbonds/HBondSet.hh>
#include <core/scoring/hbonds/hbonds.hh>
#include <basic/options/option.hh>
#include <basic/options/keys/out.OptionKeys.gen.hh>
#include <protocols/jd2/Job.hh>
#include <protocols/jd2/JobDistributor.hh>
#include <utility/vector0.hh>
#include <utility/vector1.hh>
#include <core/chemical/ResidueConnection.hh>
#include <core/conformation/symmetry/SymmetryInfo.hh>
#include <core/conformation/symmetry/util.hh>
#include <core/pose/symmetry/util.hh>
#include <ObjexxFCL/format.hh>

Namespaces

 protocols
 The instance of Loops contained by AbrelaxApplication should be replaced by a LoopsOP.
 
 protocols::simple_filters
 

Variables

static basic::Tracer protocols::simple_filters::TR ("protocols.simple_filters.TaskAwareScoreTypeFilter")
 

Detailed Description

Formerly devel/matdes/AverageInterfaceEnergyFilter. Calculates/filters based on a particular score type over the set of packable residues specified by the user-provided task operations. Can be calculate in either the bound or unbound state (a jump or sym_dof_names must be provided to create the unbound pose). Can operate in 1 of 3 modes: 1) if mode=total then compute function returns the total score over all packable residues and the apply function returns true if the total score is less than or equal to the user-specified threshold (false otherwise), 2) if mode=average then the compute function returns the average score over all packable residues and the apply function returns true if the average score is less than or equal to the user-specified threshold (false otherwise), and 3) if mode=individual then the compute function returns the number of individual residues that do not pass the user-specified score type threshold and the apply function returns true if all residues passed the user-specified threshold (false otherwise).

Author
Jacob Bale (balej.nosp@m.@uw..nosp@m.edu), Neil King (neilk.nosp@m.ing@.nosp@m.uw.ed.nosp@m.u)