IUPAC name
Codename: name
The IUPAC names are saved in a text file following this rules:
- one name per line
- additional fields can be added, separated by tabs
Importing IUPAC names is available from Marvin version 5.1.
Marvin applications
You can import IUPAC names to Marvin applications in various ways:
- Select the name in the text of any page and drag&drop or copy&paste it to MarvinSketch.
- Select the Enter IUPAC name from the Edit menu, and paste the name into the text field.
- Open a text file (.name) containing IUPAC names (one per row). MarvinView will open
all structures, MarvinSketch will ask you to select one structure (by its index number).
Command line
You can use IUPAC name import through MolConverter.
Custom dictionary in name import
Detailed description of the setting up of a custom dictionary is described in this page
Marvin applications
The names can be exported in MarvinSketch and MarvinView by saving the file
in the .name format.
Command line
You can use IUPAC name export through MolConverter.
Current limitations
- Molecules containing multiple radicals (e.g.
ethane-1,2-diyl) are not supported yet.
- Stereo descriptors (r) and (s) are not supported (as in the whole of marvin).
- Amino-acids and peptides are supported only when the amino-acids are represented as groups.
- Isotopes are not supported
- Some aspects of nomenclature are only partially implemented, in particular complex cases of fused
systems and multiplicative nomenclature. In those cases, a less straightforward but chemically correct
name will be generated.