ChemSketch for All Handout (1)

advertisement
ChemSketch for All
By April McPherson
Aprilmcpherson88@gmail.com
Twitter: amcpherson8
Introduction
My goal is to introduce all grade levels to ChemSketch and to highlight some of its
capabilities. ChemSketch is a tool used to draw two dimensional representations of
molecules. Typically organic but you can draw ionic ones as well.
I want to start with our focus on some universal molecules:
6CO2 + 6H2O  C6H12O6 + 6O2
If you don’t recognize it this is the equation for photosynthesis.
Part 1: Drawing the molecules.
Water
 Click on the H on the left
 Click on the drawing screen
 H2O should appear
To show water’s bent shape:
 Select H2O by using the Lasso or box tool at the top
 Click on the drawing window close to the water molecule; hold down the mouse, circle
around the molecule and release. The circled water molecule will be highlighted in a
highlight box.
 At the top select Tools and select 3D structure optimization. It will bend water.
H
H
O
Carbon Dioxide
 Click on the C on the left side
 Click once on the drawing screen
 CH4 should appear
 Click on the H on the left
 Click twice on the drawing screen
 Two H2O should appear
 Click on the Carbon hold and drag to an Oxygen
 Repeat to the other Oxygen


It should look like HO—C—OH
Click on each of the bonds so that no there is a double bond between the Carbon and
EACH of the Oxygens
Glucose
 Click on the C on the left side
 Click on the drawing screen and CH4 appears
 Click on the C in that molecule hold and drag to another location and release.
 CH3—CH3 should appear
 Continue in the click-hold-drag method until six Carbons are connected in a chain.
 Add six waters around the chain.
 Click on an Oxygen hold and drag to connect to a Carbon.
 Connect an Oxygen to each of the Carbons
 Click on one of the bonds at either end of the molecule to make it a double bond.
 This is Glucose.
OH
OH
OH
O
OH
HO
Oxygen
 Click on the H on the left
 Click twice on the drawing screen
 Two H2O should appear
 Click on one of the Oxygens and drag to the other Oxygen a line will appear between
them: HO—OH
 That is not O2 yet
 Click on the line that represents the bond and it becomes a double bond and now it is
O2.
O
O
Part 2: I Drew a Structure but it isn’t Pretty
 Step 1: Lasso the structure
 Step 2: Clean it up.
 Do this by going to the red and white arrows that look like a Ying Yang symbol and
clicking on it. OR. Go to Tools and Clean Structure.
You can draw multiple structures and then clean them up all at once with one click.
Part 3: 3D Structures
 Molecules are drawn.
 Click on the ACD/Labs at the top of the drawing screen.
 Click on the 3D Viewer Freeware
 Your screen will be a black screen with the ChemSketch icons at the top.
 At the bottom of the screen click on 1-ChemSketch and you will be back to the drawing
ChemSketch screen.
 Lasso a molecule and click 2-Copy to 3D
 Now on the 3D screen you can change the appearance of the molecule by clicking on
the model at the top (ball and stick or space fill).
 You can click on the 3D optimization button next to what appear to be the movie real
icons.
 This screen allows you to rotate the molecule.
Part 4: Naming the Molecules
 In the ChemSketch drawing screen (click on the 1-ChemSketch on the bottom of the
screen)
 Lasso the molecule
 Click on Tools
 Generate (almost at the bottom)
 Another drop down menu appears
 Click on Name for Structure
 The name will appear under the drawn molecule on the ChemSketch screen.
Part 5: Now what?
 Lasso the molecule
 Click on Edit
 Click on copy
 Paste into Microsoft word
Same for 3D viewer
 Might want to change the background
 Options
 Color then change background to white
O
OH
hydroxyacetaldehyde
Sizing
 Has to be done in ChemSketch
 Lasso the molecule and with the highlight box on it grab a corner and drag it just like
you would in Word.
 Then Edit, Copy, and paste in Word.
Sizing in 3D
 Click on View
 Zoom in or out
 The number of times is limited however.
F
H3C
CH3
5-fluorohept-3-yne
Download