Edit Pattern Dialog Box DEPRECATED
The Edit Pattern dialog box provides tools for editing the SMARTS patterns and atom list for ligand constraint features definition.
To open this dialog box, click Edit in the Edit Feature panel.
- Features
- Additional Resources
Edit Pattern Dialog Box Features
The features are the same as for the New Pattern dialog box.
- SMARTS Pattern text box
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Contains the SMARTS string. You can edit or replace the string.
- Get from Selection button
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This button uses the atoms that are selected in the Workspace to generate a SMARTS pattern, which is entered into the SMARTS pattern text box. The generated pattern replaces the contents of the text box.
- Atom numbers text box
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Specify the list of atoms in the ligand that must match the constraint. The atom numbers can be entered as a comma-separated list, and are given in terms of the SMARTS pattern: atom 1 is the first atom in the SMARTS pattern, and so on. Only one atom should be specified for metal, H-bond, and positional constraints. You can use the SMARTS Index Panel to determine what the SMARTS index of a particular atom in the Workspace is.