protocols::ligand_docking::ga_ligand_dock::GADockStageParams Struct Reference

represent options for a single "phase" of ligand docking More...

#include <GAOptimizer.hh>

Public Member Functions
	GADockStageParams ()
	GADockStageParams (core::Size repeats_in, core::Size pool_in, core::Real rmsthreshold_in, core::Real pmut_in, core::Real maxiter_in, core::Real packcycles_in, core::Real smoothing_in, utility::vector1< core::Real > const &ramp_schedule_in)

Public Attributes
core::Size	repeats
core::Size	pool
core::Real	rmsthreshold
core::Real	pmut
core::Real	maxiter
core::Real	packcycles
core::Real	smoothing
core::Real	elec_scale
utility::vector1< core::Real >	ramp_schedule

Detailed Description

represent options for a single "phase" of ligand docking

Constructor & Destructor Documentation

protocols::ligand_docking::ga_ligand_dock::GADockStageParams::GADockStageParams ( )

inline

protocols::ligand_docking::ga_ligand_dock::GADockStageParams::GADockStageParams ( core::Size  repeats_in, core::Size  pool_in, core::Real  rmsthreshold_in, core::Real  pmut_in, core::Real  maxiter_in, core::Real  packcycles_in, core::Real  smoothing_in, utility::vector1< core::Real > const &  ramp_schedule_in  )

inline

Member Data Documentation

core::Real protocols::ligand_docking::ga_ligand_dock::GADockStageParams::elec_scale

Referenced by protocols::ligand_docking::ga_ligand_dock::GALigandDock::parse_my_tag(), protocols::ligand_docking::ga_ligand_dock::GAOptimizer::run(), and protocols::ligand_docking::ga_ligand_dock::GALigandDock::setup_params_for_runmode().

core::Real protocols::ligand_docking::ga_ligand_dock::GADockStageParams::maxiter

Referenced by protocols::ligand_docking::ga_ligand_dock::GALigandDock::parse_my_tag(), protocols::ligand_docking::ga_ligand_dock::GAOptimizer::run(), and protocols::ligand_docking::ga_ligand_dock::GALigandDock::setup_params_for_runmode().

core::Real protocols::ligand_docking::ga_ligand_dock::GADockStageParams::packcycles

Referenced by protocols::ligand_docking::ga_ligand_dock::GALigandDock::parse_my_tag(), and protocols::ligand_docking::ga_ligand_dock::GAOptimizer::run().

core::Real protocols::ligand_docking::ga_ligand_dock::GADockStageParams::pmut

Referenced by protocols::ligand_docking::ga_ligand_dock::GALigandDock::parse_my_tag(), and protocols::ligand_docking::ga_ligand_dock::GAOptimizer::run().

core::Size protocols::ligand_docking::ga_ligand_dock::GADockStageParams::pool

Referenced by protocols::ligand_docking::ga_ligand_dock::GALigandDock::parse_my_tag(), and protocols::ligand_docking::ga_ligand_dock::GAOptimizer::run().

utility::vector1<core::Real> protocols::ligand_docking::ga_ligand_dock::GADockStageParams::ramp_schedule

Referenced by protocols::ligand_docking::ga_ligand_dock::GALigandDock::parse_my_tag(), and protocols::ligand_docking::ga_ligand_dock::GAOptimizer::run().

core::Size protocols::ligand_docking::ga_ligand_dock::GADockStageParams::repeats

Referenced by protocols::ligand_docking::ga_ligand_dock::GALigandDock::parse_my_tag(), and protocols::ligand_docking::ga_ligand_dock::GAOptimizer::run().

core::Real protocols::ligand_docking::ga_ligand_dock::GADockStageParams::rmsthreshold

Referenced by protocols::ligand_docking::ga_ligand_dock::GALigandDock::parse_my_tag(), and protocols::ligand_docking::ga_ligand_dock::GAOptimizer::run().

core::Real protocols::ligand_docking::ga_ligand_dock::GADockStageParams::smoothing

Referenced by protocols::ligand_docking::ga_ligand_dock::GALigandDock::parse_my_tag(), and protocols::ligand_docking::ga_ligand_dock::GAOptimizer::run().

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The documentation for this struct was generated from the following file:

• src/protocols/ligand_docking/GALigandDock/GAOptimizer.hh