MacroModel Quick Start Guide - ISP

Chapter 5: Other CalculationsFigure 5.3. The Coordinate Scan panel showing the Scan tab.7. From the Label atoms button menu on the main toolbar, choose Atom Number.All atoms in the workspace are labeled with their corresponding atom number.8. In the Scan tab of the Coordinate Scan panel, under Define coordinate to scan, chooseDihedral from the Coordinate type option menu.9. Choose Atoms from the Pick menu (see Figure 5.3).10. In the order listed, pick the atoms in the Workspace that define the two angles: 1, 14, 15,16, and 6, 25, 26, 27. (Use the middle mouse button to rotate the structure, if necessary.)11. Click Start to open the Start dialog box.12. Choose Do not incorporate from the Incorporate option menu.13. Enter Ddrive in the Name text box.56MacroModel 9.7 Quick Start Guide