Rosetta 3.3
Functions
match Namespace Reference

Functions

BooleanOptionKey const match ("match")
StringOptionKey const lig_name ("match:lig_name")
RealOptionKey const bump_tolerance ("match:bump_tolerance")
FileOptionKey const active_site_definition_by_residue ("match:active_site_definition_by_residue")
FileOptionKey const active_site_definition_by_gridlig ("match:active_site_definition_by_gridlig")
FileOptionKey const required_active_site_atom_names ("match:required_active_site_atom_names")
FileOptionKey const grid_boundary ("match:grid_boundary")
FileOptionKey const geometric_constraint_file ("match:geometric_constraint_file")
FileOptionKey const scaffold_active_site_residues ("match:scaffold_active_site_residues")
FileOptionKey const scaffold_active_site_residues_for_geomcsts ("match:scaffold_active_site_residues_for_geomcsts")
RealOptionKey const euclid_bin_size ("match:euclid_bin_size")
RealOptionKey const euler_bin_size ("match:euler_bin_size")
BooleanOptionKey const consolidate_matches ("match:consolidate_matches")
IntegerOptionKey const output_matches_per_group ("match:output_matches_per_group")
StringVectorOptionKey const orientation_atoms ("match:orientation_atoms")
StringOptionKey const output_format ("match:output_format")
StringOptionKey const match_grouper ("match:match_grouper")
RealOptionKey const grouper_downstream_rmsd ("match:grouper_downstream_rmsd")
BooleanOptionKey const output_matchres_only ("match:output_matchres_only")
IntegerVectorOptionKey const geom_csts_downstream_output ("match:geom_csts_downstream_output")
BooleanOptionKey const filter_colliding_upstream_residues ("match:filter_colliding_upstream_residues")
RealOptionKey const upstream_residue_collision_tolerance ("match:upstream_residue_collision_tolerance")
RealOptionKey const upstream_residue_collision_score_cutoff ("match:upstream_residue_collision_score_cutoff")
RealOptionKey const upstream_residue_collision_Wfa_atr ("match:upstream_residue_collision_Wfa_atr")
RealOptionKey const upstream_residue_collision_Wfa_rep ("match:upstream_residue_collision_Wfa_rep")
RealOptionKey const upstream_residue_collision_Wfa_sol ("match:upstream_residue_collision_Wfa_sol")
BooleanOptionKey const filter_upstream_downstream_collisions ("match:filter_upstream_downstream_collisions")
RealOptionKey const updown_collision_tolerance ("match:updown_collision_tolerance")
RealOptionKey const updown_residue_collision_score_cutoff ("match:updown_residue_collision_score_cutoff")
RealOptionKey const updown_residue_collision_Wfa_atr ("match:updown_residue_collision_Wfa_atr")
RealOptionKey const updown_residue_collision_Wfa_rep ("match:updown_residue_collision_Wfa_rep")
RealOptionKey const updown_residue_collision_Wfa_sol ("match:updown_residue_collision_Wfa_sol")
BooleanOptionKey const define_match_by_single_downstream_positioning ("match:define_match_by_single_downstream_positioning")
IntegerOptionKey const ligand_rotamer_index ("match:ligand_rotamer_index")
BooleanOptionKey const enumerate_ligand_rotamers ("match:enumerate_ligand_rotamers")
BooleanOptionKey const only_enumerate_non_match_redundant_ligand_rotamers ("match:only_enumerate_non_match_redundant_ligand_rotamers")
BooleanOptionKey const dynamic_grid_refinement ("match:dynamic_grid_refinement")

Function Documentation

FileOptionKey const match::active_site_definition_by_gridlig ( "match:active_site_definition_by_gridlig"  )
FileOptionKey const match::active_site_definition_by_residue ( "match:active_site_definition_by_residue"  )
RealOptionKey const match::bump_tolerance ( "match:bump_tolerance"  )
BooleanOptionKey const match::consolidate_matches ( "match:consolidate_matches"  )
BooleanOptionKey const match::define_match_by_single_downstream_positioning ( "match:define_match_by_single_downstream_positioning"  )
BooleanOptionKey const match::dynamic_grid_refinement ( "match:dynamic_grid_refinement"  )
BooleanOptionKey const match::enumerate_ligand_rotamers ( "match:enumerate_ligand_rotamers"  )
RealOptionKey const match::euclid_bin_size ( "match:euclid_bin_size"  )
RealOptionKey const match::euler_bin_size ( "match:euler_bin_size"  )
BooleanOptionKey const match::filter_colliding_upstream_residues ( "match:filter_colliding_upstream_residues"  )
BooleanOptionKey const match::filter_upstream_downstream_collisions ( "match:filter_upstream_downstream_collisions"  )
IntegerVectorOptionKey const match::geom_csts_downstream_output ( "match:geom_csts_downstream_output"  )
FileOptionKey const match::geometric_constraint_file ( "match:geometric_constraint_file"  )
FileOptionKey const match::grid_boundary ( "match:grid_boundary"  )
RealOptionKey const match::grouper_downstream_rmsd ( "match:grouper_downstream_rmsd"  )
StringOptionKey const match::lig_name ( "match:lig_name"  )
IntegerOptionKey const match::ligand_rotamer_index ( "match:ligand_rotamer_index"  )

Referenced by set_ligpose_rotamer().

BooleanOptionKey const match::match ( "match"  )
StringOptionKey const match::match_grouper ( "match:match_grouper"  )
BooleanOptionKey const match::only_enumerate_non_match_redundant_ligand_rotamers ( "match:only_enumerate_non_match_redundant_ligand_rotamers"  )
StringVectorOptionKey const match::orientation_atoms ( "match:orientation_atoms"  )
StringOptionKey const match::output_format ( "match:output_format"  )
IntegerOptionKey const match::output_matches_per_group ( "match:output_matches_per_group"  )
BooleanOptionKey const match::output_matchres_only ( "match:output_matchres_only"  )
FileOptionKey const match::required_active_site_atom_names ( "match:required_active_site_atom_names"  )
FileOptionKey const match::scaffold_active_site_residues ( "match:scaffold_active_site_residues"  )
FileOptionKey const match::scaffold_active_site_residues_for_geomcsts ( "match:scaffold_active_site_residues_for_geomcsts"  )
RealOptionKey const match::updown_collision_tolerance ( "match:updown_collision_tolerance"  )
RealOptionKey const match::updown_residue_collision_score_cutoff ( "match:updown_residue_collision_score_cutoff"  )
RealOptionKey const match::updown_residue_collision_Wfa_atr ( "match:updown_residue_collision_Wfa_atr"  )
RealOptionKey const match::updown_residue_collision_Wfa_rep ( "match:updown_residue_collision_Wfa_rep"  )
RealOptionKey const match::updown_residue_collision_Wfa_sol ( "match:updown_residue_collision_Wfa_sol"  )
RealOptionKey const match::upstream_residue_collision_score_cutoff ( "match:upstream_residue_collision_score_cutoff"  )
RealOptionKey const match::upstream_residue_collision_tolerance ( "match:upstream_residue_collision_tolerance"  )
RealOptionKey const match::upstream_residue_collision_Wfa_atr ( "match:upstream_residue_collision_Wfa_atr"  )
RealOptionKey const match::upstream_residue_collision_Wfa_rep ( "match:upstream_residue_collision_Wfa_rep"  )
RealOptionKey const match::upstream_residue_collision_Wfa_sol ( "match:upstream_residue_collision_Wfa_sol"  )
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