Knowledge Base

Article ID: 1732 - Last Modified: September 24, 2012

Is there a way to import a structure by using its common name or its IUPAC name?

Yes. You can search for a structure by its common name or its IUPAC name and import the structure, either in Maestro or in Canvas.

Maestro:

  1. Choose Edit → 2D Sketcher (or click the toolbar button).
  2. In the 2D Sketcher panel, choose Edit → Common or IUPAC Name Search, and enter the name in the dialog box that opens.
  3. When the structure is displayed, ensure that Convert to 3D is selected, then click Create New Entry.
A new structure titled "New Entry" is added to the project.

Canvas:

  1. Create a new row in the spreadsheet (Edit → Add Row).
  2. Double-click the structure cell to open the Edit Structure dialog box.
  3. Choose Edit → Common or IUPAC Name Search, and enter the name in the dialog box that opens.
  4. Click OK.
The structure is entered into the structure cell of the spreadsheet. To convert it to a 3D structure using LigPrep, choose Applications → 3D Minimization.

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