This preview shows page 1. Sign up to view the full content.
Unformatted text preview: ture drawn in the workspace, select the above structure only. or, on the Tools menu, point 3. On the General toolbar, click Generate Name for Structure to Generate, and then choose Name for Structure. The name appears below the drawn structure: N O HO 3-(2-pyridinyl)benzoic acid
Note The name generation preferences specified either in ACD/Name or any ACD/Labs Database program affect the result of the name generation in ACD/ChemSketch. ACD/ChemSketch Tutorial 71 Special Function Keys 4. Move the name string down by dragging it. 5. On the Atoms toolbar, click Chlorine and click once near the structure to draw HCl. again. This time the 6. Select both structures and click Generate Name for Structure name for a mixture appears: HCl N O HO 3-(2-pyridinyl)benzoic acid hydrochloride 7.4.1 Limitations of ACD/Name Freeware
ACD/Name Freeware has the following limitations:
• Structures to be named can contain no more than 50 atoms, including hydrogen. • Structures can only contain the elements H, C, N, P, O, S, F, Cl, Br, I, Li, Na, and K in their common valences. • Structures can contain no more than 3 cycles. • The freeware version does not allow you to change the naming preferences. It uses the preferences that correspond to the most preferable IUPAC names.
Note For more information on ACD/Name, visit our Web site at http://www.acdlabs.com/products/name_lab/name/ ACD/ChemSketch Tutorial 72 8. Searching for Structures— Commercial version only! 8.1 Objectives
In this section, you will obtain some basic skills on how to perform searches for structures from ACD/ChemSketch environment. In this section, you will learn how to:
• Perform searches for structure in the files on your computer; • Customize the search options to suit your requirements; • Set a mask for files to be searched through; • View the search results. 8.2 Searching for Structure
The Search for Structure tool allows you to search for drawn chemical structure(s) in a variety of files without opening them. As the structure is found, it can be viewed and placed either into the ChemSketch window or to the other applications. 8.2.1 Which Files to Search Through?
The Search for Structure tool allows you to search for specific structures through the files of currently available formats. 1. On the General toolbar, click New Page to switch to a new page.
CH3 2. Draw a structure of toluene or find it in ACD/Dictionary: 3. On the General toolbar, click Search for Structure . The Search for Structure dialog box containing the drawn structure in the Search Pattern box appears. ACD/ChemSketch Tutorial 73 Searching for Structures 4. In the Look In box, select the folders and/or files to search through. For our example, find the ACD/Labs example folder and select it with all of the subfolders: below the Look In box. 5. To set the formats of the files to search through, click Browse The Look Through Files dialog box appears. Select the ChemSketch Document, MDL Molfiles, and Microsoft Word Document check boxes. Clear all the other check boxes. Tip You can narrow the search by defining the file mask for any of the selected formats. Highlight the form and click Change Mask and in the dialog box that appears type a mask. 6. Click OK to apply your changes. ACD/ChemSketch Tutorial 74 Searching for Structures 7. In the Search for Structure dialog box, click Options to customize the search options. 8. On the General tab, set the Search Type to Substructure Search and in the Search Within File box, choose All Occurrences. 9. Switch to the Open tab and if necessary define the applications to be used for opening the corresponding files. 10.Click OK. ACD/ChemSketch Tutorial 75 Searching for Structures 8.2.2 Considering Search Results
Now we can start search for the desired structure: 1. To start a search, click Search. As the search proceeds, the files where the query structure is found are displayed in the Search Result area. 2. To view the structure found by your query, click the list of found files. The structure is displayed in the Preview area. ACD/ChemSketch Tutorial 76 Searching for Structures 3. If among the search results, there is a MS Word file (.DOC), clicking it in the list will display the OLE object that contains the query structure. For example: 4. To open the found structure or OLE object, click Open in the Preview area. 5. To save the search results, as well as the query structure and folder settings, into an .SSF file, click Save.
Note If a found file is open in ACD/ChemSketch, a new page is created whose name fully corresponds to the path of the found file in the Search Results list. As the opening takes place, you do not leave the Search for Structure dialog box. Therefore, each time you click Open , or double-click the same file highlighted in the Search Results list, a new page is opened in ACD/ChemSketch. ACD/ChemSketch Tutorial 77 9. Creating Graphical Objects 9.1 Objectives
This chapter will familiarize you with the creation of graphical objects. Switch to the Draw mode before proceeding with any exercise in this chapter. You will learn how to use Draw mode tools for creating the follow...
View Full Document
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