converts names containing OCR (optical character recognition) error.
Example: convert the defective name "3-rnethyl-l-methoxynaphthalene" to SMILES
molconvert 'smiles:T*' -s '3-rnethyl-l-methoxynaphthalene' -f name:ocr
disable conversion of systematic names
|-common||disable conversion of common names (such as aspirin)|
|-elements||disable 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||disable conversion of atomic ion syntax, for instance "Ca2+".|
|-groups||disable conversion of groups and fragments, such as "oxo" or "methyl".|
|-cas||disable the conversion of CAS registry numbers|
|-casNames||disable the conversion of CAS names|
|nameField=FIELD||sets the field/property that stores the original name. By default, the molecule title is used.|
|dict=PATH ||specify the location of the custom dictionary. Example: |
|webservice=URL ||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.
To enable an option, a + sign can be used before the option name. For instance, both forms ocr and +ocr are accepted to enable this option.