Name to Structure Format options
Codename |
Explanation |
ocr |
converts names containig OCR (optical character recognition) error. molconvert 'smiles:T*' -s '3-rnethyl-l-methoxynaphthalene' -f name:ocr |
-systematic |
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: name:dict=C:\Users\Me\MyDictionary.smi. |
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.