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Modeling Exercise # 2 -- continued
Total time: 3 minutes
Task 4A: Measure the bond angle in water
- Begin with the
water molecule you built and optimized in the
previous tasks. Select File|Open "water-MM3"
- Click on the select tool,
,
select one hydrogen, then hold down the shift key and select the oxygen and another
hydrogen. All three atoms (and the bonds) will be highlighted.
- Select Adjust|Bond Angle. The Set Bond Angle dialog box opens
displaying the bond angle in degrees. There are several things you can do:
label, record or adjust the angle.
- Record the value on the work sheet.
- Now, let's label the bond angle in water.
-
Select Define Geometry Label, then Unlock Geometry and click OK.
A label appears on the bond angle in the workspace window.
-
Click on the select tool,
, and click
anywhere in the work space to select the entire molecule.
Task 4B: Measure the bond length in water
- We'll continue with the same molecule.
- Click on the select tool,
,
select the oxygen, then hold down the shift key and select one of the
hydrogen atoms. The oxygen and one of the hydrogen atoms will be
highlighted.
- Select Adjust|Atom Distance. The Set Atom Distance dialog box opens
displaying the bond length in angstroms. There are several things you can do:
label, record or adjust the bond length.
- Record the value on the work sheet.
- Now, as in the last exercise, let's label the bond distance in water.
-
Select Define Geometry Label, then Unlock Geometry and click OK.
A label appears on the bond length in the workspace window.
This is the last task in this exercise.
Go back to the start page.
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