basic::options::OptionKeys::match Namespace Reference

Variables
BooleanOptionKey const	match
StringOptionKey const	lig_name
RealOptionKey const	bump_tolerance
FileOptionKey const	active_site_definition_by_residue
FileOptionKey const	active_site_definition_by_gridlig
FileOptionKey const	required_active_site_atom_names
FileOptionKey const	grid_boundary
FileOptionKey const	geometric_constraint_file
FileOptionKey const	scaffold_active_site_residues
FileOptionKey const	scaffold_active_site_residues_for_geomcsts
RealOptionKey const	euclid_bin_size
RealOptionKey const	euler_bin_size
BooleanOptionKey const	consolidate_matches
IntegerOptionKey const	output_matches_per_group
StringVectorOptionKey const	orientation_atoms
StringOptionKey const	output_format
StringOptionKey const	match_grouper
RealOptionKey const	grouper_downstream_rmsd
BooleanOptionKey const	output_matchres_only
IntegerVectorOptionKey const	geom_csts_downstream_output
BooleanOptionKey const	filter_colliding_upstream_residues
RealOptionKey const	upstream_residue_collision_tolerance
RealOptionKey const	upstream_residue_collision_score_cutoff
RealOptionKey const	upstream_residue_collision_Wfa_atr
RealOptionKey const	upstream_residue_collision_Wfa_rep
RealOptionKey const	upstream_residue_collision_Wfa_sol
BooleanOptionKey const	filter_upstream_downstream_collisions
RealOptionKey const	updown_collision_tolerance
RealOptionKey const	updown_residue_collision_score_cutoff
RealOptionKey const	updown_residue_collision_Wfa_atr
RealOptionKey const	updown_residue_collision_Wfa_rep
RealOptionKey const	updown_residue_collision_Wfa_sol
BooleanOptionKey const	define_match_by_single_downstream_positioning
IntegerOptionKey const	ligand_rotamer_index
BooleanOptionKey const	enumerate_ligand_rotamers
BooleanOptionKey const	only_enumerate_non_match_redundant_ligand_rotamers
BooleanOptionKey const	dynamic_grid_refinement
BooleanOptionKey const	build_round1_hits_twice

Variable Documentation

active_site_definition_by_gridlig

FileOptionKey const basic::options::OptionKeys::match::active_site_definition_by_gridlig

extern

active_site_definition_by_residue

FileOptionKey const basic::options::OptionKeys::match::active_site_definition_by_residue

extern

build_round1_hits_twice

BooleanOptionKey const basic::options::OptionKeys::match::build_round1_hits_twice

extern

bump_tolerance

RealOptionKey const basic::options::OptionKeys::match::bump_tolerance

extern

consolidate_matches

BooleanOptionKey const basic::options::OptionKeys::match::consolidate_matches

extern

define_match_by_single_downstream_positioning

BooleanOptionKey const basic::options::OptionKeys::match::define_match_by_single_downstream_positioning

extern

dynamic_grid_refinement

BooleanOptionKey const basic::options::OptionKeys::match::dynamic_grid_refinement

extern

enumerate_ligand_rotamers

BooleanOptionKey const basic::options::OptionKeys::match::enumerate_ligand_rotamers

extern

euclid_bin_size

RealOptionKey const basic::options::OptionKeys::match::euclid_bin_size

extern

euler_bin_size

RealOptionKey const basic::options::OptionKeys::match::euler_bin_size

extern

filter_colliding_upstream_residues

BooleanOptionKey const basic::options::OptionKeys::match::filter_colliding_upstream_residues

extern

filter_upstream_downstream_collisions

BooleanOptionKey const basic::options::OptionKeys::match::filter_upstream_downstream_collisions

extern

geom_csts_downstream_output

IntegerVectorOptionKey const basic::options::OptionKeys::match::geom_csts_downstream_output

extern

geometric_constraint_file

FileOptionKey const basic::options::OptionKeys::match::geometric_constraint_file

extern

Referenced by create_theozyme_pdb().

grid_boundary

FileOptionKey const basic::options::OptionKeys::match::grid_boundary

extern

grouper_downstream_rmsd

RealOptionKey const basic::options::OptionKeys::match::grouper_downstream_rmsd

extern

lig_name

StringOptionKey const basic::options::OptionKeys::match::lig_name

extern

Referenced by match_main().

ligand_rotamer_index

IntegerOptionKey const basic::options::OptionKeys::match::ligand_rotamer_index

extern

Referenced by match_main().

match

BooleanOptionKey const basic::options::OptionKeys::match::match

extern

match_grouper

StringOptionKey const basic::options::OptionKeys::match::match_grouper

extern

only_enumerate_non_match_redundant_ligand_rotamers

BooleanOptionKey const basic::options::OptionKeys::match::only_enumerate_non_match_redundant_ligand_rotamers

extern

orientation_atoms

StringVectorOptionKey const basic::options::OptionKeys::match::orientation_atoms

extern

output_format

StringOptionKey const basic::options::OptionKeys::match::output_format

extern

output_matches_per_group

IntegerOptionKey const basic::options::OptionKeys::match::output_matches_per_group

extern

output_matchres_only

BooleanOptionKey const basic::options::OptionKeys::match::output_matchres_only

extern

required_active_site_atom_names

FileOptionKey const basic::options::OptionKeys::match::required_active_site_atom_names

extern

scaffold_active_site_residues

FileOptionKey const basic::options::OptionKeys::match::scaffold_active_site_residues

extern

Referenced by main().

scaffold_active_site_residues_for_geomcsts

FileOptionKey const basic::options::OptionKeys::match::scaffold_active_site_residues_for_geomcsts

extern

updown_collision_tolerance

RealOptionKey const basic::options::OptionKeys::match::updown_collision_tolerance

extern

updown_residue_collision_score_cutoff

RealOptionKey const basic::options::OptionKeys::match::updown_residue_collision_score_cutoff

extern

updown_residue_collision_Wfa_atr

RealOptionKey const basic::options::OptionKeys::match::updown_residue_collision_Wfa_atr

extern

updown_residue_collision_Wfa_rep

RealOptionKey const basic::options::OptionKeys::match::updown_residue_collision_Wfa_rep

extern

updown_residue_collision_Wfa_sol

RealOptionKey const basic::options::OptionKeys::match::updown_residue_collision_Wfa_sol

extern

upstream_residue_collision_score_cutoff

RealOptionKey const basic::options::OptionKeys::match::upstream_residue_collision_score_cutoff

extern

upstream_residue_collision_tolerance

RealOptionKey const basic::options::OptionKeys::match::upstream_residue_collision_tolerance

extern

upstream_residue_collision_Wfa_atr

RealOptionKey const basic::options::OptionKeys::match::upstream_residue_collision_Wfa_atr

extern

upstream_residue_collision_Wfa_rep

RealOptionKey const basic::options::OptionKeys::match::upstream_residue_collision_Wfa_rep

extern

upstream_residue_collision_Wfa_sol

RealOptionKey const basic::options::OptionKeys::match::upstream_residue_collision_Wfa_sol

extern