Name to Structure Format Options

    Codename Default value Explanation
    ocrCorrection off enable the conversion of names containing typical OCR (optical character recognition) errors. Example: convert the defective name "3-rnethyl-l-methoxynaphthalene" to SMILES molconvert 'smiles:T*' -s '3-rnethyl-l-methoxynaphthalene' -f name:ocrCorrection
    systematic on enable the conversion of systematic names
    common on enable the conversion of common names (such as aspirin )
    elements on enable the conversion of the name of chemical elements, for instance carbon, sodium, .... Even though "carbon" is not converted, "methane" still is, since it is a molecule name for CH4, not an element.
    ions on enable the conversion of atomic ion syntax, for instance "Ca2+"
    groups on enable the conversion of groups and fragments, such as "oxo" or "methyl"
    cas on enable the conversion of CAS registry numbers® (uses a webservice, read the notice about CAS Registry Numbers®)
    casNames on enable the conversion of CAS names
    nameField=FIELD the molecule title set the field/property that will store the original name
    dict=PATH OS-dependent default location specify the location of the custom dictionary. Example: name:dict=C:\Users\Me\MyDictionary.smi.
    webservice=URL none enable the usage of a custom webservice at the given URL

    Some of these options are mainly useful when configuring which names Document to Structure recognizes.

    Each option can be preceded by a minus sign - (for instance -systematic) to disable it. Both forms ocrCorrection and +ocrCorrection are accepted to enable an option.