RDKitMinimalLib.get_substruct_matchFunction
get_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)
source
RDKitMinimalLib.get_substruct_matchesFunction
get_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)
source