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Administrator VDW Interactions The parameters contained in the VDW parameters table (VDW Interaction.xml) are used to adjust specific VDW interactions in a molecule, such as hydrogen bonding, to provide better correspondence with experimental data in calculating the MM2 force field. For example, consider the VDW interaction between an Alkane carbon (Atom Type 1) and a hydrogen (Atom Type 5). Normally, the VDW energy is based on the sum of the VDW radii for these atoms, found for each atom in the Atom Types table (1.900Å for Atom type number 1 + 1.400Å for Atom type number 2 = 3.400Å). However, better correspondence between the computed VDW energy and experimental data is found by substituting this sum with the value found in the VDW Interactions table for this specific atom type pair (Atom Types 1-5 = 3.340Å). Similarly, an Eps parameter is substituted for the geometric mean of the Eps parameters for a pair of atoms if their atom types appear in the VDW Interactions table. Record Order When sorted by Atom Type, the order of the records in VDW Interactions table window is as follows: Records are sorted by the first atom type number in the Atom Type field. For example, the record for Atom Type 1-36 is before the record for atom type 2-21. For records where the first atom type number is the same, the records are sorted by the second atom type number in the Atom Type field. For example, the record for atom type 2-21 is before the record for atom type 2-23. 666• Parameter Tables <strong>CambridgeSoft</strong> VDW Interactions
Appendix H: Keyboard Modifiers The following tables list the keyboard modifiers that allow you to manipulate your view of the model without changing tools. Rotation Key Drag Shift+Drag ALT Trackball rotate view Trackball rotate model selection B Rotate 1/2 of fragment around bond V Rotate view about selected axis Rotate model selection about axis X Rotate view about view X axis Rotate model about view X axis Y Rotate view about view Y axis Rotate model about view Y axis Z Rotate view about view Z axis Rotate model about view Z axis In addition to the keyboard shortcuts, you can rotate a model by dragging with the mouse while holding down both the middle mouse button or scroll wheel and the left mouse button. Tip: The order is important; press the middle button first. Zoom and Translate Key Drag Shift+Drag CTRL Translate view Translate model selection A Zoom to center Appendices <strong>ChemOffice</strong> 2005/Appendix Keyboard Modifiers • 667
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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 xxxviii• CambridgeS
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CAMBRIDGESOFT ChemOffice Desktop to
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KNOWLEDGE E-Notebook Enterprise Des
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KNOWLEDGE 21CFR11 Compliance Electr
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CS Software Problem Report For fast
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