There now follows in Chapter 3 a set of worked examples of the use of QUEST3D for a wide variety of tasks. It is hoped that working through some or all of these examples will provide the new user with a good overview of the facilities available.
Examples 1 - 5 develop the 'fragment' theme from the location of a simple fragment (Example 1), through the application of 2D chemical constraints (Example 2) to the specification of geometrical parameters and their use in 3D searches (Examples 3 and 4). The location of structures that exhibit specific non-bonded contact distances is covered in Example 5.
These five examples illustrate the use of the various sub-menus of BUILD and, where necessary, additional notes on certain QUEST3D commands are included in the examples.
Non-structural searches covered in Examples 6-10 illustrate text and numeric searches, the location of specific elements or element types, molecular formula searches, and the use of the REDUCED-CELL sub-menu.
Some users may wish to begin their exploration of the CSD System at Example 6, before attempting the simple fragment search of Example 1.