View Put SMILES Parameter Block

Put SMILES Parameter Block

Molecule_Spec: identifier; The Molecule_Spec parameter identifies a molecule. Each molecule object within InsightII has a name. The name is assigned when the molecule is read in with Get Molecule or i when a Sketch object is converted to a 3D molecule.
SMILES File: long text; The SMILES File parameter designates the name of a disk file to write the generated SMILES string. Any valid unix file name can be used. Note, that if the name of a preexisting file is specified, this command will offer the option of a) appending the new SMILES string to that file or b) replacing that file with a new one containing only the new SMILES string.