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

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

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+".

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