6 #ifndef BALL_DOCKING_GENETICDOCK_DOCKPROBLEM_H
7 #define BALL_DOCKING_GENETICDOCK_DOCKPROBLEM_H
28 #ifndef BALL_DOCKING_COMMON_CONFORMATIONSET_H
bool post_dock_optimization_
AtomContainer * getLigand()
DoubleParameter double_parameter_
Vector3 binding_pocket_center_
virtual void setup(AtomContainer &sys_lig)
DockProblem(AtomContainer &sys_lig, BALL::ScoringFunction *sf, EvolutionaryDocking *docker, bool post_dock_optimization)
BALL::ScoringFunction * scoring_function_
std::vector< Vector3 > ligand_positions_
QuaternionParameter quaternion_parameter_
virtual double calculate()
AtomContainer * draw_ligand_
EvolutionaryDocking * docker_
void connectTo(GeneticAlgorithm *opt)