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Create a G-group
query in the CrossFire Commander
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In this example we want to retrieve halogenated indenes. The
halogens can be found on the 4-, 5-, 6-, or 7-position of the indene; For
example:
 
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- Draw the parent structure. Draw the G-groups. A G-group can consist of substances,
substituents, predefined generic groups, or single atoms.
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- Label
the atoms on the parent structure as G1, G2, etc. (In the results, these
atoms will be replaced by your G-groups.) Each label can be used
multiple times on your parent structure. Each different label must have
a corresponding G-group drawn.
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- Define
your G-group so that it corresponds to a particular G-label. Click the Select tool. Select
your G-group (X). Click the Gn
button. Select the appropriate
number for “G”. Click OK.
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- Attachment points. If a member of your G-group consists
of more than one atom, you must choose which atom will attach to the
parent structure in your results.
Use the Edit tool to
select the Attachment point
atom in the G-group. Click the Attachments button in the Atom Attributes box and select 1; repeat and select additional
numbers if you want the G-group to have additional attachment points.
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- You
can specify the number of times you would like your G-groups to appear
in your results by setting the Frequency. From the Query menu, select Query>
Generic Frequency. Select the
appropriate “G” label and the appropriate number for the frequency. The number you select means you can
retrieve the G-group “up to that number” of times.
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6. Click
the To Commander button and click Start Search
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