element
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
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)