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Unformatted text preview: cance. 2.2.11 Editing Atom Labels
The Edit Atom Label tool allows you to substitute terminal atoms with shorthand abbreviations. Using the structure cleaned in Section 2.2.10, follow the steps below: 1. On the Atoms toolbar, click Edit Atom Label on the drawn structure. , and then click the right-most fluorine atom 2. In the Edit Label dialog, type (CH2)3Ph and click Insert. Note that the label is inserted in the desired position and the indexes are automatically subscripted:
F F (CH2)3Ph ACD/ChemSketch Tutorial 10 Drawing Simple Structures 3. Click Change Position , and then click the label to invert it:
F F Ph(H 2C) 3 Tip If you hold down SHIFT and click the label with the Change Position tool active, the connection point of the label will be changed. 4. With the Edit Atom Label tool active, click the obtained shorthand abbreviation to open to obtain the following the Edit Label dialog box again. Then click Expand structure: F F Important Only group abbreviations that substitute terminal atoms as atom labels can be expanded by clicking Expand. 2.2.12 Draw Chains Tool
Using the Draw Chains dragging. tool, you can easily draw short or long chains by clicking and and point to the atom indicated by the arrow: 1. On the Structure toolbar, click Draw Chains F F 2. Drag to the left side, a carbon chain is created. Note the carbon counter (C #) located beside the mouse arrow changes with each carbon added or removed. Continue until the counter reaches C 8, then release the mouse button to finish the chain: F F H3C ACD/ChemSketch Tutorial 11 Drawing Simple Structures 3. With the Draw Chains tool active, on the Atoms toolbar, click Fluorine , and then click the left-most CH3 group three times to sprout three fluorine atoms. Then click ,select these three fluorine atoms, and click Clean Structure Select/Move structure became as follows: . The Note Dragging with the Draw Chains tool active draws a chain where the bonds are set at an angle of 120° to each other. However, holding down CTRL while dragging with the Draw Chains tool active produces a chain where the bonds are set at an angle of 180° to each other. 2.3 Clearing the Screen
If you have to clear the screen, you can do one of the following: • • • • • From the File menu, choose New . This will open a new empty document. Click New Page from the upper left set of buttons to insert a new empty page. From the Edit menu, choose Select All and then from the Edit menu, choose Delete. Press CTRL+A to select all the objects on the page and then press DELETE. . Click an empty space away from the drawn On the General toolbar, click Delete structure to select all of the structures, and then click any structure to clear the entire screen. Clear the screen using one of the aforementioned ways. ACD/ChemSketch Tutorial 12 Drawing Simple Structures 2.4 Using ACD/Dictionary—Commercial version only!
ACD/Dictionary allows you to find the molecular structure for common drug names, but this module is only available in the commercial version of ACD/ChemSketch. If you are using the freeware version and the ACD/Dictionary is not available, skip this section. 1. To display the ACD/Dictionary, on the Reference toolbar, click ACD/Dictionary . 2. Right-click the title bar of the dialog box, to display the shortcut menu. Make sure that Copy Structure with Name is not selected. 3. In the Quick Search box, type caffeine. As you type the list scrolls to display the corresponding names. As soon as the required name is visible in the list, click it to select. The corresponding structure is displayed in the preview area to the right. 4. To place the selected compound onto the workspace, click OK. 5. The structure shadow is attached to the cursor. Point to an empty space and click to insert the structure:
O H3C N N CH3 O N CH3 N ACD/ChemSketch Tutorial 13 Drawing Simple Structures Note For more details on the ACD/Dictionary options, refer to the ACD/Dictionary User’s Guide located in the ACD/Labs documentation folder (\\DOCS\DICT.PDF). 2.5 Flipping Structures
You can rotate or flip the entire structure with a single button click using a set of tools on the Structure toolbar. 1. Take the structure of caffeine from the Dictionary as described in the previous section or draw it manually. We are going to rotate the structure relative the double bond indicated with red line in the image below:
O H3C N N CH3 O N CH3 N 2. Click Set Bond Horizontally and then click the bond to set it horizontally, rotating the rest of the structure correspondingly. Repetitive clicking the bond with this tool will rotate it around the clicked bond: 3. Click Set Bond Vertically and then click the bond to set it vertically, rotating the rest of the structure correspondingly. ACD/ChemSketch Tutorial 14 Drawing Simple Structures 4. Click Flip on Bond clicked: and then click the bond, the structure will rotate around the bond 5. Select the entire structure (or fragment) first. Click Flip Top to Bottom and the selected structure or fragment (or if nothing is selected, all the drawn structures) will rotate from top to bottom. 6. Click Flip Left to Right...
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This note was uploaded on 06/22/2010 for the course AS 1 taught by Professor Chem during the Spring '10 term at University of Alaska Southeast.
- Spring '10