System Tables

Cactvs Tcl interpreters with table support start up with three predefined tables, which are accessible via their standard handles table0 , table1 and table2 . They are write-protected by default, but by setting the editable attribute this can be changed.

If an interpreter is started in a KNIME context, additional tables may be automatically present.

The PSE table

This table has handle table0 . It contains basic physical and display data for all elements. The rows are addressable via the periodic system number or the standard element symbol. Row zero contains pseudo data for an undefined element.

The columns are:

The Superatom table

This table has handle table1 . It contains information about common superatom fragments. This information is for example used superatom expansion or contraction of chemical groups for display.

The columns are:

The SMARTS Macro table

This table has handle table2 and is initially empty. If content is added, it is automatically used in all SMILES and SMARTS expansions which use macro syntax.

The columns are