Viewing 3D Structures 使用指南(6)

4. This will display the ACD/Dictionary dialog box. In the Quick Search box type in a few key-strokes for the name “cinchonidine”. (Cinchonidine is an anti-malarial agent that is extracted from the bark of various species of Cinchona.)

5. As soon as the required name is selected in the list and corresponding structure is displayed, click OK. Note that the shadow of the selected structure hangs over the cursor. Click in the workspace to place the structure in the ChemSketch window:

6. Click the Copy to 3D button at the bottom of the ChemSketch window to transfer the molecule into the ACD/3D Viewer interface. You will see a simple stick figure appear in the 3D window:

3.3 Customizing Molecules View

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1. To create a 3D model of a 2D chemical structure, click the 3D optimize button . Note that the hydrogens are added:

2. Drag over the workspace to rotate the structure obtained for better viewing.

3. To represent the current structure as balls and sticks, click the Ball and Sticks button _.

4. To add dots halo to the current molecule view, click the With Dots button . The structure will look something like this:

5. To rotate a molecule automatically as it is, without changing its view type, click the Auto-rotate button . (To rotate a molecule, automatically changing its view type, click the Auto-rotate and Change style button .)

Note To represent the structure as disks, wireframe, dots or spacefilled, click the corresponding buttons on the toolbar (, , , , respectively). You can also right-click in the window workspace to switch among the view mode buttons. (Note that if any of the Measure menu tools (, , ) are active, right-clicking will toggle between them only.)

3.3.1 Changing Colors

1. From the Options menu choose the Colors… command or click the Set Colors button . This will display the Colors dialog box:

2. When measurements are being made, the set of atoms whose distance or angles are being measured are given a special highlight color. The default is a bright green. To change the color of the atoms that are selected, from the Selection list choose the desired color and click OK.

Note Selection works only with the Calculate Distance , Calculate Angle and Calculate Torsion Angle tools. For more details on these tools refer to Section 3.5.

3. To change the color of the background of the display, select the desired color in the Background list.

Tip If you are printing a lot, to save toner, it is best to change the background to white.

4. To change the color of a chemical element, click the name of the element in the list and then choose the desired color to the right.

Note Selecting the Alphabetical Order check box sorts the names of the elements in the list; otherwise, the elements are listed in the order they appear in the Periodic Table of Elements.

3.3.2 Changing Atom Radius of a Specific Element

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