How do I…
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Create a Simple
Reaction Query in the CrossFire Commander. |
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In this example we want to perform a substructure reaction search using one reactant and one product. |
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1.
Double click the structure area of the CrossFire Commander to open the CrossFire Structure Editor. |
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2.
Draw the reactant and the product. |
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3.
Switch to Reaction mode by clicking the Reaction Mode button. |
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4.
Using the Select
tool, select the reactant. |
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5.
Click the Reactant
button. |
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6.
Select the product. |
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7.
Click the Product
button. |
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8.
Click the To
Commander button. |
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9.
Under Free
Sites, choose All Atoms to
perform a substructure search. |
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10.
Next
to As Result I want to get, select
Reactions from the drop-down menu. |
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11.
Click
Start Search. |