飞 Structure editor 日 CA 8×D的√还 T Fullerene Unspecified Charge Site: none m/z7200000 When you click the Templates button Structure Editor window, the Template dialog window appears. Mass Frontier comes with more then redefined templates. To insert a template structure into Structure Editor: 1. Select a group of templates in the directory list box. You can do this using the arrow keys on the keyboard or clicking the appropriate name of the group. 2. Click any atom or bond, depending on whether you want to attach the template to an atom or a bond of a structure in Structure Editor 3. The Template dialog window will then disappear and you can place 4. Sw itch off the template button or restore the default state of the Editor Frontier makes it easy for te your own group of templates or add rectory. The template root directory is . \Templates. Every group of template template root directory. Subdirectories a re named after compound groups(e. g. Steroids). The files within each subd irectory are named after actual structures using the extension tml(e. g. Cholesterol. tml. When you save a structure for template purposes select Template (.tml) format in the Save as Type scroll box in the save Structure dialog box. To build your own templates, follow these steps:
Templates When you click the Templates button in the Structure Editor window, the Template dialog window appears. Mass Frontier comes with more then 200 predefined templates. To insert a template structure into Structure Editor: 1. Select a group of templates in the directory list box. You can do this using the arrow keys on the keyboard or clicking the appropriate name of the group. 2. Click any atom or bond, depending on whether you want to attach the template to an atom or a bond of a structure in Structure Editor. 3. The Template dialog window will then disappear and you can place or attach the chosen template. 4. Switch off the template button or restore the default state of the Editor. Mass Frontier makes it easy for you to create your own group of templates or add a structure to an existing group. The templates are organized by directory. The template root directory is ..\Templates. Every group of templates is stored in a separate subdirectory of the template root directory. Subdirectories a re named after compound groups (e.g. Steroid s). The files within each subdirectory a re named after actual structures using the extension *.tml (e.g. Cholesterol.tml). When you save a structure for template purposes select Template (*.tml) format in the Save as Type scroll box in the Save Structure dialog box. To build your own templates, follow these steps:
1. Draw a template structure. 2. Click on the save structure utton in the Structure Editor window or choose the File I Save I Structure menu item 3. Select Template(*. tml)format in the Files of type: combo box in the Save Structure dialog window. 4. Create or select a subdirectory in the directory .. \Highchem \ Mass Frontier4 0\Templates for your new template 5. Type name of your new template structure and click OK. Selecting Atoms and Bonds Any modification that you make to a structure applies only to the selected atoms or bonds In addition, when a ( SubsTructure search is initiated, the program automatically uses the selected (sub)structure in Structure. Before you select one or more atoms you should restore the default state of the editor. To select a group of atoms that are next to each other Hold down the mouse button and drag a rectangle around the atoms you want to select. The usual Windows convention for selecting multiple items applies. To select atoms at different locations, you should use the keyboard SHIFT key. You can select a group of atoms that are not adjacent in one of two ways: he atoms you want to select, while holding down the SHIFT key ld down the utton and drag a rectangle around the atoms you want to select, while holding down the SHIFT key. If you want to select all of the atoms and bonds in the structure: Click the Select All button the Structure Editor window or choose the Structure I Select All menu item Or double dick anywhere in the draw area within Structure Editor, except on atoms and bonds. Structure Editor offers two selection modes: Rectangle Selection and Lasso Selection. To choose the selection mode that fits your needs: Click with the right mouse button on the Default Mode button and choose the appropriate selection mode from the popup m Or click with the right mouse button any where in the draw area within Structure Editor, and click the Rectangle or Lasso Selection menu item on the pop-up menu that will appear in the draw area
1. Draw a template structure. 2. Click on the Save Stru cture button in the Structure Edito r window or choose the File | Save | Structure menu item. 3. Select Template (*.tml) format in the Files of type: combo box in the Save Structure dialog window. 4. Create or select a subdirectory in the directory ..\HighChem\Mass Frontier4.0\Templates for your new template. 5. Type name of your new template structure and click OK. Selecting Atoms and Bonds Any modification that you make to a structure applies only to the selected atoms or bonds In addition, when a (Sub)Structure search is initiated, the program automatically uses the selected (sub)struc ture in Structu re. Before you select one o r more atoms you should restore the default state of the editor. To select a group of atoms that are next to each other: • Hold down the mouse button and drag a rectangle around the atoms you want to select. The usual Windows convention for selecting multiple items applies. To select atoms at different locations, you should use the keyboard SHIFT key. You can select a group of atoms that are not adjacent in one of two ways: • Click the atoms you want to select, while holding down the SHIFT key. • Or hold down the mouse button and drag a rectangle around the atoms you want to select, while holding down the SHIFT key. If you want to select all of the atoms and bonds in the structure: • Click the Select All button in the Structure Editor window or choose the Structure | Select All menu item. • Or double click anywhere in the draw area within Structure Editor, except on atoms and bonds. Structure Editor offers two selection modes: Rectangle Selection and Lasso Selection. To choose the selection mode that fits your needs: • Click with the right mouse button on the Default Mode button and choose the appropriate selection mode from the popup menu. • Or click with the right mouse button anywhere in the draw area within Structure Editor, and click the Rectangle or Lasso Selection menu item on the pop-up menu that will appear in the draw area