Select by Smarts Panel

• Summary
• Opening the Select by Smarts Panel
• Using the Select by Smarts Panel
• Select by Smarts Panel Features
• Related Topics

Summary

This panel allows you to select entries in the Project Table that match one or more SMARTS patterns.

Opening the Select by Smarts Panel

To open the Select by Smarts panel, you can:

• Choose Select → By SMARTS in the Project Table panel.

Using the Select by Smarts Panel

To select entries that match a single SMARTS pattern:

1. Enter the SMARTS pattern in the text box at the top of the panel, or select atoms in the Workspace and click Get from Workspace Selection.

2. Choose a search scope and action from the Search option menu.

3. Click Select.

To construct a complex search expression with several SMARTS patterns:

1. Enter the SMARTS pattern in the text box at the top of the panel, or select atoms in the Workspace and click Get from Workspace Selection.

2. Click AND, OR, or NOT.

   Another section containing a SMARTS pattern text box and Get from Workspace Selection button is added above the logical operator buttons.

3. In this new section, enter the SMARTS pattern in the text box, or select atoms in the Workspace and click Get from Workspace Selection.

4. To add another SMARTS pattern, repeat from step 2.

5. Click Select when all desired patterns are entered.

Matching is done in sequential order from the top, applying the logical operation at each step.

Select by Smarts Panel Features

• SMARTS pattern text box
• Get from Workspace Selection button
• Logical operator buttons
• Search option menu
• Highlight atoms option
• Select button
• Reset button

SMARTS pattern text box

Enter the SMARTS pattern in this text box.

Get from Workspace Selection button

Click this button to get the SMARTS pattern from the current Workspace atom selection. You can set preferences for inclusion of notational elements in the generated SMARTS pattern in the Preferences panel, under SMARTS generation.

Logical operator buttons

These buttons allow you to combine two or more SMARTS patterns by performing AND, OR, and NOT logical operations. Clicking the button displays another SMARTS pattern and Get from Workspace Selection button above the logical operator buttons.

Search option menu

Choose the entries to search for matches to the SMARTS pattern, and the action to be taken with the matching entries.

• All: replace current selection—Search all entries, and select only the matching entries (i.e. replace the current entry selection with the matches).
• Selected: subset within current selection—Search in the current entry selection, and select only the matching entries.
• All: add to current selection—Search all entries, and add to the selection any matching entries that are not already selected.

Highlight atoms option

Highlight the atoms in the Workspace that match the SMARTS pattern in any entry that is selected by the SMARTS pattern.

Select button

Run the search and perform the entry selection.

Reset button

Clear all the SMARTS pattern.

Related Topics

• Project Table Panel