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Administrator copied into blank tables in Chem3D to create models. Text tables can use spaces or tabs between columns. For a Cartesian table, there must be four columns (not including the Serial Number column) or five columns (if the Serial Number column is included.) The relative order of the the X-Y-Z columns must be preserved; otherwise column order is not important. For a Z-Matrix table, there must be seven columns (not including Serial Number column) or eight columns (if the Serial Number column is included.) The column order must NOT be changed. To copy a Cartesian or Z-Matrix table into Chem3D: 1. Select the table in the text or Excel file. 2. Use Ctrl+C to transfer to the clipboard. 3. Right-click in a blank table in Chem3D and select Paste. Examples Example 1: chloroethane Cartesian table (space character as separator) C 0 -0.464725 0.336544 0.003670 C 0 0.458798 -0.874491 0.003670 Cl 0 0.504272 1.818951 0.003670 H 0 -1.116930 0.311844 0.927304 H 0 -1.122113 0.311648 -0.927304 H 0 -0.146866 -1.818951 0.003670 H 0 1.116883 -0.859095 0.923326 H 0 1.122113 -0.858973 -0.923295 ------------------------- Example 2: ethane Cartesian table (tab as separator) C -0.49560.57820.0037 C 0.4956-0.57820.0037 H 0.05521.55570.0037 H -1.15170.52520.9233 H -1.15690.5248-0.9233 H -0.0552-1.55570.0037 H 1.1517-0.52520.9233 H 1.1569-0.5248-0.9233 ----------------------- Example 3: ethenol Z-Matrix table (tab as separator) C C 1 1.33 O 2 1.321 119.73 H 3 0.9782 1091 180 H 2 0.991 1193 180 H 1 0.9892 119.53 180 H 1 0.9882 1193 0 Changing an Atom to Another Element To change an atom from one element to another: 1. Click the Text tool. 2. Click the atom to change. A text box appears. 3. Type the symbol for the element you want (case-sensitive). 4. Press the Enter key. As long as the Text tool is selected, you can doubleclick other atoms to make the same change. 60 •Building and Editing Models <strong>CambridgeSoft</strong> Changing an Atom to Another Element
For example, to change benzene to pyridine: 1. Click the atom to replace and type NH2. To change more than one atom: 1. Use Shift+click to select the atoms to change. 2. Type the name of the atom type (case sensitive). 3. Press the Enter key. For many atom types that change bond order, you must select all atoms attached to the bond so that the correct bond forms. For example, to change ethane to ethene: 2. Press the Enter key. 1. Select both carbons. 2. Type C Alkene. 3. Press the Enter key. Changing Bonds To change the bond order of a bond you can use the bond tools, commands, or the Text tool. You can change the bond order in the following ways: • One bond at a time. • Several bonds at once. • By changing the atoms types on the bond. Changing an Atom to Another Atom Type To change a single atom: 1. Click the Text tool. 2. Click the atom to change. A text box appears. 3. Type the name of the atom type (case sensitive). 4. Press the Enter key. To change the bond order with the bond tool: 1. Select a bond tool (of a different order). 2. Drag from one atom to another to change. To change the bond order using a command: 1. Select a bond. 2. From the Right-click menu, point to Set Bond Order, and choose a bond order. To change the bond order by changing the atom type of the atoms on either end of the bond: 1. Click the Text tool. 2. Shift+click all the atoms that are attached to bonds whose order you want to change. <strong>ChemOffice</strong> 2005/Chem3D Building and Editing Models • 61 Changing an Atom to Another Atom Type
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A Guide to CambridgeSoft Manuals An
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Chapter 31: Changes and Audit Trail
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Administrator Tutorial 7: Docking M
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Administrator Connection Table . .
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Administrator Specifying Properties
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Administrator Undoing Changes . . .
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Administrator xxxviii• CambridgeS
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CAMBRIDGESOFT ChemOffice Desktop to
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RESEARCH & Inventory Manager Chemic
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CHEMICAL The Merck Index Chemistry
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CHEMICAL Chemical Databases Referen
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