Element Lists

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You can define your search query more concisely with the element list. By labeling an atom position as a list of elements you specify that one of these elements must match in the structure for which you are searching. The elements in the element list must be separated by commas. A space after each comma and brackets are optional. An example of an element list is shown below.

NOTE: An element list may contain only atomic symbols, plus D (deuterium) and T (tritium).

To create an element list:

1. Open an atom label text box.

2. Type an open bracket ("[") followed by a list of elements separated by commas ("Cl, Br, I"), followed by a close bracket ("]").

3. Close the text box.

The following example shows a query structure created to find compounds matching the following criteria:

a. Non-oxygen chalcogenide bonded to another atom.

b. Not necessarily carbon (a generic nickname).

c. The bond type between the chalcogenide and the other atom to be a single or double bond.

The "A" label indicates that the atom may match any atom except hydrogen. The mark near the bond indicates that the bond has special properties. The bond type specified in the Bond Properties dialog box must be single or double, S/D. The "[S,Se,Te]" specifies that one of these elements must match in the target structures.