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Unformatted text preview: to flip the selected structure or fragment (or if nothing is selected, all drawn structures) from left to right.
Note Applying the Flip tools might change the stereo configuration. To control this, from the Options menu, choose Preferences, and then switch to the Structure tab. The Keep Stereo Configuration on area controls whether the program will remember the “true” 3D arrangement of the structure: We recommend that the Flips check box be selected. In this case, the structure before the flip is the same as the structure after the flip, although its representation has changed:
CH3 H Cl Yes
H Cl CH3 Br Br If the Flips check box is cleared, the structures before and after the flip are enantiomers:
CH3 H Cl No
H Cl CH3 Br Br 2.6 Output
As soon as you have drawn one or more structures you can save them to a file, print them, or insert them into the other applications such as MS Word, Excel, etc. You can also use the drawn structure(s) to try out the ACD/I-Lab services (refer to the ACD/I-Lab User’s Guide located in the ACD/Labs documentation folder, \\DOCS\ILAB.PDF). 2.6.1 Saving a ChemSketch (.SK2) File
Let us save the document with the structures created in previous sections in the default proprietary ACD/Labs format, 1 as a file which we will call EXAMPLE1.SK2. 1. From the File menu, choose Save.
1 The details for the .SK2 file format are spelled out in the .SK2 Format document available from http://www.acdlabs.com/download/#misc. ACD/ChemSketch Tutorial 15 Drawing Simple Structures 2. In the dialog box that appears, specify the name and location of the file to which the work should be placed. Click OK. 2.6.2 Saving a Structure to a MDL Molfile
A standard format shared by many programs is the molfile format, developed by MDL, Inc. Note that it will not retain graphical images, text, etc. It only retains the molecular structure. 1. Select the structure you want to save as a molfile. 2. From the File menu, choose Export. In the Save As Type box, select MDL Molfiles (*.mol): 3. Specify the name and location of a file and click Save. 2.6.3 Printing
Another way to preserve your work is to print a report. Before starting printing, verify the page setup settings. 1. From the File menu, choose Page Setup to display the dialog box where you can specify the paper size, orientation, margins for the page, and if you wish set options for the poster (more details on the poster creation can be found in Section 10.3): 2. Click OK to save settings. 3. On the General toolbar, click Full Page to see how the page will look on a printout. ACD/ChemSketch Tutorial 16 Drawing Simple Structures 4. If necessary, move the objects on the page to arrange them properly. to display the Print 5. From the File menu, choose Print or, on the General toolbar, click dialog box where you can specify the number of copies to be printed. Click Print. 2.6.4 Embedding the Structure in a Document
Sometimes you need to insert the structure into a report written in applications other than ACD/ChemSketch (e.g., Word document, Excel spreadsheet, etc.). 1. Select the required structure(s). 2. To copy the selection to the Clipboard, on the General toolbar, click Copy –OR– From the Edit menu, choose Copy. –OR– Press CTRL+C. . 3. Switch to the application where you want the structure(s) to be inserted and paste using the Paste command of that application.
Important When pasting structures copied from ACD/ChemSketch to other applications (e.g., Microsoft Excel), the structure may be represented as a set of numbers and figures (as an MDL molfile). To place a picture of the structure, use the Paste Special command in the application you are pasting to. Among the paste options choose either the ACD ChemSketch 2.0 Object or Picture option. The former inserts the structure as an OLE object thus allowing you to edit the inserted structure via ACD/ChemSketch by double-clicking the picture. ACD/ChemSketch Tutorial 17 3. Drawing More Complex Structures 3.1 Objectives
Now that you have studied the basics of structure drawing described in Chapter 2 you may want to draw more complex structures using the advanced tools of ACD/ChemSketch. In this chapter, you will learn how to: • Use the Table of Radicals to draw typical chemical fragments; • Quickly draw ring structures; • Delete and replace atoms; • Set double and triple bonds; • Set an atom’s charge, draw cations and anions; and • Change various atomic properties. 3.2 Using the Table of Radicals
The Table of Radicals includes pre-drawn structures of amino acids, their protecting groups, as well as nucleotides and other frequently used radicals. 1. On the General toolbar, click Save File from a new page of the same document. , then click New Page to start new drawing ACD/ChemSketch Tutorial 18 Drawing More Complex Structures 2. On the References toolbar, click Table of Radicals to display the radicals: 3. Click Cyclohexane —a Cyclohexane button is now located and currently selected on the References toolbar on the right side of the screen. Right-click to hide the t...
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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