Labeling atoms

If atoms are labeled (using System::label_atom), you can use these labels in your GSL queries.

  • Syntax:

    label XYZ

  • Examples:

    label MyAtom

    Selects the atom labeled "MyAtom".

    label MyAtom AnotherAtom OneMoreAtom

    Selects atoms labeled "MyAtom", "AnotherAtom", and "OneMoreAtom".

Labels with multiple words

For labels consisting of multiple words, enclose them in quotes.

  • Example:

    label 'Very interesting atom'

    Selects the atom labeled "Very interesting atom".

Comparison with groups:
Labels are similar to groups but are guaranteed to contain only one atom each.