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")
BooleanOptionKey const	build_round1_hits_twice ("match:build_round1_hits_twice")

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"

)

BooleanOptionKey const match::build_round1_hits_twice

(

"match:build_round1_hits_twice"

)

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"

)

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"

)