561 creating the structure of beta maltose this

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Unformatted text preview: e beta-D-pyranose tab choose β-D-Glucopyranose. 4. Click in the ChemSketch window to place it to the right of the first structure. and ACD/ChemSketch Tutorial 60 Advanced Drawing: Templates 5. On the Atoms toolbar, click Carbon . Click the indicated atom in the α-D-Glucopyranose structure to replace it with a CH3 group and then drag from the CH3 group to the right while holding down SHIFT to draw the bond at a perfect right angle: 6. Repeat step 5 for the β-D-Glucopyranose structure to obtain the following structure: 7. Click Oxygen and click the indicated atom on the β-D-Glucopyranose structure: 8. On the Structure toolbar, click Select/Move . Click in the workspace adjacent to, but not touching, the β-D-Glucopyranose structure to select it. Point to any atom or bond of the selected structure and drag it to the left until the corresponding OH and CH3 groups overlap each other: 9. If desired, hide single hydrogens in the selected structure; from the Tools menu, choose Remove Explicit Hydrogens: Note Though the carbon atoms bonded to central oxygen are hidden, they are still present. If the chemical meaning is important for your task (for example, in calculating the formula weight) you can remove these atoms in the following way. With the Select/Move tool active double-click the hidden atom. When the Properties panel appears; click the Atom tab, then click Atom Symbol and from the Value drop-down list, choose Empty Alternatively, you can do this using the Pseudo Atom . Click Apply. tool. ACD/ChemSketch Tutorial 61 Advanced Drawing: Templates Try to draw the following structure on your own using the technique described above: β-Cellobiose 10.On the General toolbar, click Save File , then click New Page . 5.7 Defining a User Template It is very easy to create a template out of a ChemSketch file. We are offering free templates, beyond those included with the ACD/ChemSketch installation package that can be downloaded from our Web site. 2 This is a templates exchange page, so if you have a set of structures or drawings that you think might be helpful to the ACD/ChemSketch community, consider sharing it! To designate the structure(s) you have drawn as a template, we recommend that you: 1. Save the structures you have currently drawn to your examples folder, e.g., C:\EXAMPLES\ACD\MALTOSE.SK2. 2. From the Templates menu, choose Save User Template. 3. In the Save User Template dialog box, type the name for your template, such as Maltose, and specify the location of the file. Click OK. Note You can enter any name for your document (e.g., for the document B_D_FUR.SK2 the following name—Sugars: beta-D-Furanose—would be the most appropriate). Once your document is saved as a user template, the name you typed is automatically added to the list of templates in the Template window (from the Templates menu, choose Template Window). You can create a user template from any document even if it is closed. From the Templates menu, choose Template Organizer. Click New, find the needed document, and assign a name to it. 4. Close the open document. Note 5.7.1 The Template Window Organizer The Template Window Organizer is a very convenient way for managing template files: both those included with the software package, and those that you decide to create. It will just take you a minute to save your ACD/ChemSketch document as a template. Note that the only difference between the template file and a regular .SK2 file is the fact that the template file is assigned as a template in the Template Window Organizer. By saving files this way there are several advantages: • Your .SK2 files scattered over different folders and disks will be gathered in one place (the Template Window Organizer). • You can assign a name to the template that is more descriptive than the real file name is. This will better reflect the contents of the document and allow you to quickly find the document you need. 2 Check first in the “Template” folder of the ACD/ChemSketch freeware for the desired template. If you don’t find it there, go to http://www.acdlabs.com/download/download_templates.html. ACD/ChemSketch Tutorial 62 Advanced Drawing: Templates • You can quickly find a document by previewing its contents in the Preview Area of the Template window. • You can quickly open a selected document from the list by clicking Open Document in the Template Window Organizer. • Up to 15 templates can be accessed through the Template window. You can perform the following tasks with the user template: ⇒ Modify the template. From the Template List (Template Organizer) choose the needed template and click Open Document. Make changes as needed and save. ⇒ Copy any part of your template to the workspace (Structure or Draw mode) without opening the whole document. To do this, find your template in the Template List (Template window) and click the item to place it into the workspace. 5.7.2 The Template.cfg File The key to management of the templates in ACD/ChemSketch is the file TEMPLATE.CFG. This file lets ACD/ChemSketch know that an .SK2 file is...
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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.

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