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protocols::ligand_docking::ga_ligand_dock::LigandAligner Member List

This is the complete list of members for protocols::ligand_docking::ga_ligand_dock::LigandAligner, including all inherited members.

apply(LigandConformer &lig)protocols::ligand_docking::ga_ligand_dock::LigandAligner
chi_step_protocols::ligand_docking::ga_ligand_dock::LigandAlignerprivate
estimate_nstruct_sample(core::pose::Pose const &pose, utility::vector1< core::Size > const &ligids, core::Size const ntotal)protocols::ligand_docking::ga_ligand_dock::LigandAligner
faster_protocols::ligand_docking::ga_ligand_dock::LigandAlignerprivate
istruct_protocols::ligand_docking::ga_ligand_dock::LigandAlignerprivate
LigandAligner()protocols::ligand_docking::ga_ligand_dock::LigandAligner
LigandAligner(bool use_pharmacophore, utility::vector1< core::Size > const &movable_scs, bool faster)protocols::ligand_docking::ga_ligand_dock::LigandAligner
movable_scs_protocols::ligand_docking::ga_ligand_dock::LigandAlignerprivate
perturb_lig(core::pose::Pose &pose, utility::vector1< core::Size > ligid)protocols::ligand_docking::ga_ligand_dock::LigandAlignerprivate
randomize_lig(core::pose::Pose &pose, utility::vector1< core::Size > ligid, numeric::xyzVector< core::Real > const &T)protocols::ligand_docking::ga_ligand_dock::LigandAlignerprivate
refine_input(bool setting)protocols::ligand_docking::ga_ligand_dock::LigandAlignerinline
refine_input_protocols::ligand_docking::ga_ligand_dock::LigandAlignerprivate
rot_step_protocols::ligand_docking::ga_ligand_dock::LigandAlignerprivate
set_chi_step(core::Size chi_step_in)protocols::ligand_docking::ga_ligand_dock::LigandAlignerinline
set_constraints(core::pose::Pose &pose, utility::vector1< core::Size > ligids, utility::vector1< std::pair< core::Size, core::Size > > &marked_pairs, core::Real const w_prior=1.0, utility::vector1< core::Size > const &SrcPriorIDs=utility::vector1< core::Size >(), utility::vector1< core::Size > const &TgtPriorIDs=utility::vector1< core::Size >())protocols::ligand_docking::ga_ligand_dock::LigandAlignerprivate
set_hard_constraint_on_marked(core::pose::Pose &pose, utility::vector1< core::Size > ligid, utility::vector1< std::pair< core::Size, core::Size > > const &marked_pairs) const protocols::ligand_docking::ga_ligand_dock::LigandAlignerprivate
set_pharmacophore_reference(core::pose::Pose const &pose)protocols::ligand_docking::ga_ligand_dock::LigandAligner
set_rot_step(core::Size rot_step_in)protocols::ligand_docking::ga_ligand_dock::LigandAlignerinline
set_sf(GridScorerOP sf_in)protocols::ligand_docking::ga_ligand_dock::LigandAlignerinline
set_target(ConstraintInfo const &tgt_in)protocols::ligand_docking::ga_ligand_dock::LigandAlignerinline
set_trans_step(core::Size trans_step_in)protocols::ligand_docking::ga_ligand_dock::LigandAlignerinline
set_use_pharmacophore(bool setting)protocols::ligand_docking::ga_ligand_dock::LigandAlignerinline
sf_protocols::ligand_docking::ga_ligand_dock::LigandAlignerprivate
target_protocols::ligand_docking::ga_ligand_dock::LigandAlignerprivate
trans_step_protocols::ligand_docking::ga_ligand_dock::LigandAlignerprivate
use_pharmacophore() const protocols::ligand_docking::ga_ligand_dock::LigandAlignerinline
use_pharmacophore_protocols::ligand_docking::ga_ligand_dock::LigandAlignerprivate
weighted_score_ij_protocols::ligand_docking::ga_ligand_dock::LigandAlignerprivate