6 #ifndef BALL_DOCKING_GENETICDOCK_DOCKPROBLEM_H 7 #define BALL_DOCKING_GENETICDOCK_DOCKPROBLEM_H 28 #ifndef BALL_DOCKING_COMMON_CONFORMATIONSET_H 30 #endif // BALL_DOCKING_COMMON_CONFORMATIONSET_H 57 virtual double calculate();
Vector3 binding_pocket_center_
std::vector< Vector3 > ligand_positions_
bool post_dock_optimization_
QuaternionParameter quaternion_parameter_
BALL::ScoringFunction * scoring_function_
EvolutionaryDocking * docker_
DoubleParameter double_parameter_