name <> structure documentation

Is there a separate, distinct area in the Marvin documentation giving all the API commands for the name-structure functionality? I've had a peek around the Developer docs and the website and all I've found thus far were the bits of example code provided in earlier responses to forum posts. My apologies if I missed something really obvious.

Thanks,

Nicko

Hi Nicko!

The documentation of the iupac name support is under development now, the new extended documentation will be available soon. Anyway, the iupac name works the same way as the other formats (eg. smiles) and can be used through MolImporter from API.

 

eg.

String name = "methane";

try {

Molecule mol = MolImporter.importMol(name, "name");

System.out.println(mol.toFormat("smiles"));

} catch (MolFormatException e) {

System.err.println(name + " can't be recognized as a name.");

e.printStackTrace();

}

 

 

Regards

Rita