LigandDockScript.bench.hh File Reference

#include <apps/benchmark/performance/performance_benchmark.hh>
#include <basic/database/open.hh>
#include <basic/options/option.hh>
#include <core/pose/util.hh>
#include <core/import_pose/import_pose.hh>
#include <core/scoring/methods/EnergyMethodOptions.hh>
#include <core/scoring/ScoreFunction.hh>
#include <basic/options/keys/in.OptionKeys.gen.hh>
#include <protocols/jd2/JobDistributor.hh>
#include <protocols/ligand_docking/FinalMinimizer.hh>
#include <protocols/ligand_docking/HighResDocker.hh>
#include <protocols/ligand_docking/InterfaceBuilder.hh>
#include <protocols/ligand_docking/LigandArea.hh>
#include <protocols/ligand_docking/MoveMapBuilder.hh>
#include <protocols/ligand_docking/Rotate.hh>
#include <protocols/ligand_docking/SlideTogether.hh>
#include <protocols/ligand_docking/StartFrom.hh>
#include <protocols/ligand_docking/Translate.hh>
#include <protocols/moves/Mover.hh>
#include <utility/vector1.hh>

Classes
class	LigandDockBench
class	LigandDockScriptBenchmark

Typedefs
typedef utility::pointer::shared_ptr < LigandDockBench >	LigandDockBenchOP

Functions
core::scoring::ScoreFunctionOP	make_scorefxn (std::string weights_tag)

Typedef Documentation

typedef utility::pointer::shared_ptr<LigandDockBench> LigandDockBenchOP

Function Documentation

core::scoring::ScoreFunctionOP make_scorefxn

(

std::string

weights_tag

)

References basic::database::full_name(), options, basic::options::OptionKeys::remodel::rama, basic::options::OptionKeys::frags::scoring::scoring, and test.T220_AtomAtomPairEnergies::sfxn.

Referenced by LigandDockBench::setup().