RDKitMinimalLib.get_substruct_match
— Functionget_substruct_match(mol::Mol, qmol::Mol, options::Union{Dict{String,Any},Nothing}=nothing)::Dict{String, Any}
Gets a substructure match.
Examples
pattern = get_qmol("ccO")
mol = get_mol("c1ccccc1O")
smatch = get_substruct_match(mol, pattern)
RDKitMinimalLib.get_substruct_matches
— Functionget_substruct_matches(mol::Mol, qmol::Mol, options::Union{Dict{String,Any},Nothing}=nothing)::Dict{String, Any}
Gets all substructure matches.
Examples
pattern = get_qmol("ccO")
mol = get_mol("c1ccccc1O")
smatches = get_substruct_matches(mol, pattern)