Atom Create


Identifies the atom element or a Dummy atom, represented as Du. It must be present, otherwise an error is shown. Accepted values are "Si", " Si", "Si " but not "SI", "si", "S i" or "14".
Example: <atom ... element="Si"/> (Si element)
Allowed values: element name (required)


Label is useful to describe groups of atoms which share some properties, for example methyl and methilene hydrogens migh have atom types "h3" and "h2", respectively. Although its purpose is different, label is an alphanumeric attribute exactly as name or id. The default is the element name, converted to lowercase.
Example: <atom label="si" element="Si" ... /> (default Si type)
Allowed values: 20 alphanumeric characters maximum
(defined in GAMGI_ENGINE_TOKEN) (optional)