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followed by a simulation of the molecular properties of this molecule, then matching these results by further calculations against a protein binding target selected from the protein database and nally visualisation of the resulting matches. Currently, the transfer of data between the programs is accomplished by a combination of macros and Perl scripts each crafted for an individual case with little opportunity for intelligent reuse of scripts. This highlights the use of several large distributed databases and signi cant cluster computational resources. Proper analysis of this process and the implementation of a work ow will enable much better automation of the whole research process [4]. The example given in Figure 42.6, however, illustrates another issue; more information may be required by the second program than is available as output from the rst. Extra knowledge (often experience) needs to be added. The Quantum program provides, for example, a molecular structure, but the simulation program requires a force eld (describing the interactions between molecules). This could be simply a choice of one of the standard force elds available in the packages (but a choice nevertheless that must be made) or may be derived from additional calculations from the QM results. This is where the interaction between the Agent and the work ow appears [5, 6] (Figure 42.7).

To edit (or break) a link, choose Office Prepare Edit Links To Files in Word, which displays the Links dialog box shown in Figure 29.4. Select the Source File from the list, and click the Break Link button. After breaking a link, the data remains in the destination document, but it s no longer linked to the source document.

101 Cac 100 Stretching Flows 10 1 10 6 10 4 10 2 p = (d)/ (m) 100 101 102 103

Or, if the Chart toolbar is displayed, you can simply click the By Row or By Value button to quickly change the chart s data orientation. Your choice of orientation will determine how many series the chart has, and it will affect the appearance and (possibly) the legibility of your chart. Figure 3-1 shows two charts for the same data. The chart on the left uses three series, arranged in columns. The chart on the right uses four series, arranged in rows. In the majority of cases, using the Chart Wizard to create a chart works perfectly well. In other situations, however, you may find it necessary to modify the ranges used by the chart. Specifically, you may want to

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The most frequently used HTML elements, aside from text, are accessible through the Common category of the Insert bar The Insert bar in Dreamweaver uses menu buttons in each category, like the Images and Media menus in the Common category Menu buttons are identifiable by a small downward-pointing arrow to the right of the button Numerous objects are contained within each menu group; when you choose an object, that object becomes the default item for the menu For example, if you choose Image Placeholder from the Images menu group, the icon for that menu item is displayed in the Insert bar Image Placeholder then becomes the default until another item from the group, such as Image or Fireworks HTML, is chosen The first time any menu button is accessed, no default object yet exists, and you must choose an object from the menu group.