NAME

Codename: name

Contents:

• Name format
• Import option
• Export options
• See also

NAME format

The names are saved in a text file following this rules:

• one name per line
• additional fields can be added, separated by tabs

Import option

ocr	converts names containig OCR (optical character recognition) error. Example: molconvert 'smiles:T*' -s '3-rnethyl-l-methoxynaphthalene{name:ocr} converts the defective name "3-rnethyl-l-methoxynaphthalene" to smiles.
systematic	convert only systematic names
-systematic	disable conversion of systematic names
-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, not an element.
-ions	disable conversion of ion syntax, for instance "Ca2+".
dict=PATH	specify the location of the custom dictionary. For instance: dict=C:\Users\Me\MyDictionary.smi.

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

Export options

t	converts to traditional name. This option generates a common name if one is known for the structure. Otherwise, it generates a systematic name, but sometimes uses some traditionally accepted rules instead of the strict application of the IUPAC rules, when that generates a simpler name.
common	generates the most popular common name of a structure. (It fails if none is known.)
common,all	generates all common names of a structure.
source	outputs the name present in the source data (no generation).

See also