openbabel-cli v1.0.0

openbabel-cli

API for Open Babel using the command line interface.

Methods

Promise .convert(input, options)

Converts from representation to another one. The following options are supported:

• inputFormat: The input format. See the Babel documentation (default: smiles)
• outputFormat: The output format. See the Babel documentation (default: can)
• options: Additional command line options

Example:

openbabel.convert('IC(C=C1OC)=C(OC)C=C1CC(C)N').then(function (canonical) {
  console.log('canonical smiles representation: ' + canoncial)
})