SHOW command

Nowthesecanbeassembledintoa GraphicsArray withinthe Show command for a more pleasingpresentationofthechanges ... 

The information retrieval in MAECIS is accomplished using one of three available commands SHOW, FIND, or SEARCH. The SHOW command is the simplest one to use and requires only a code number or registry number. It allows the user to retrieve all chemical structures and associated information stored under a particular code number. In most cases this fulfills the user s needs. The FIND command is used for complex searches involving various combinations of multiple data fields, handles substructure searching. Queries such structures with a molecular weight between 200 and 250 containing an ester substructure" are handled by the FIND command. Finally, the SEARCH command is used for chemical structure searches. This search takes only seconds and allows the chemist to determine if a particular molecule is already in the database. 

Finally, we can put the data points and this line on the same graph by calling for the Listplot, pllgdatset, and the Plot, plftlg, within the Show command ... 

Now these can be assembled into a GraphicsArray within the Show command for a more pleasing presentation of the changes ... 

The command structure is nearly the same as that used before with some notable differences. We include only one function in each command—in this case hl[t]. Then we specify the interval we want to plot this function over for hi it is from t = 0 to t = tl. For h2[t] we set the interval to be from tl to t2 and for h3[t] from tl to t. Next, we set the DisplayFunction to Identity. This surprises the output of the graphics but saves them in the plot called "pll." In order to distinguish between these three plots we change their color. This is done by setting PlotStyle to Hue[0.4] (Hue can have a value between 0 and 1). We use different value for the three different plots. Finally we call each of the plots in the show command pll, pl2, and pl3, and we set DisplayFunction to DisplayFunction. This makes one plot from the three separate plots and we have no overlapping of the functions. 

Commands, such as show, add, or delete, are displayed as tabs in the lower part of the toolbox see Figure 17.2). Depending on which item is selected in the tree area, the available commands vary. The show command is always present it displays the contents of the current item. The add command is used for adding another item, for example, another molecule in a system or a force field. There are a number of actions displayed at the bottom of the toolbox. The most common action is confirm to execute the selected command. 

The other subtabs in the show command give additional information about the size of the file or the time when it has last been modified. 

In the ccdc-queue section in the lower show command area, the list of currently queued, running, and completed jobs are shown. Momec3 uses multiple processors, if available on your computer, to run more than one calculation at a time. In the... 

Figure 3. An interactive session with CONGEN including definition of the reaction site (SITE), the reaction transform (TRANSFORM) and constraints on the reaction site (CONSTRAINTS) for the example reaction, dehydrochlorination. A summary of the complete reaction is provided by the SHOW command. User responses to CONGEN are underlined (carriage-returns terminate each command).

The SHOW command (Fig 3) presents the user with a complete summary of the reaction in its current definition ... 

Figure 6.30 shows command Data Filename that enables a user to read data from the file stored in a user s own computer, local network, or internet. 

This tutorial, which is based on the Beilstein update BS0202PR (May, 2002) and on the retrieval program Cro.ssFire Commander V6,. shows. some typical advanced search examples in the Beilstein database. It is assumed that the user already knows some of the basic features of the retrieval program. Moreover, in this tutorial the CrossFire Structure Editor is used instead of the (SIS/Draw Structure Editor. The first example is a combined application of structure aiM fact retrieval, whereas the second example demonstrates reaction retrieval. 

New product development programs present another type of challenge to the researcher. Often the researcher has no guidelines for evaluating the new product and must formulate a unique plan for developiag enough iaformation to constmct a matrix that would show the risks and rewards of the project. Reference 6 presents 10 commandments for new-product development. 

Wool belongs to a family of proteins, the keratins, that also includes hair and other types of animal protective tissues such as horn, nails, feathers, and the outer skin layers. The relative importance of wool as a textile fiber has declined over the decades as synthetic fibers have increa singly been used in textile consumption. Wool is still an important fiber in the middle and upper price ranges of the textile market. It is also an extremely important export for several nations, notably AustraUa, New Zealand, South Africa, and Argentina and commands a price premium over most other fibers because of its outstanding natural properties of soft handle (the feel of the fabric), moisture absorption abiUties (and hence comfort), and superior drape (the way the fabric hangs) (see Fibers Textiles). Table 2 shows wool production and sheep numbers in the world s principal wool-producing countries. 

The followingset of commands shows us the variable names used to this point in the notebookandthattheyareindeedremovedbytheRemovecommand. 

This might seem better at first, because we get rid of the charges, but our two commandments show us why it cannot be drawn like this the nitrogen atom would have five bonds, which would violate the octet rule. 

This book summarises the enormous work done and published by many scientists who believe in polymer analysis. It is humbling to notice how much collective expertise is behind the current state-of-the-art in poly-mer/additive analysis and how little is at the command of any individual. The high degree of creativity and ingenuity within the international scientific community is inspiring. The size of the book shows the high overall productivity. Even so, only a fraction of the pertinent literature was cited. 

She stood up and eased her back while she looked at me. She had thinned while we were in exile so many months trapped inside Westminster Sanctuary showed in the lines about her eyes, and the thinning of the skin over her bones, but any man would still have called her beautiful. She said nothing, but I knew her of old her silence did not mean consent, but only consideration. Truly, I thought she might dispute with me. Would she, who could command me as her subject in all things, command my obedience in this Or could I, her brother, head of her house, commander of the King s forces, also command hers ... 

There are three CRT graphic displays which the operator may select. They are a picture of the reactor labeled with current process variable values, a trend plot of key variables, and the command file itself, highlighted to show active command lines. 

The diagrams in Pigure 2 illustrate the syntax of one of each type of the basic commands. Alternative branches in each diagram show variations in syntax that give flexibility to the commands. Figure 3 lists all ten basic commands in somewhat simplified form. 

An example of a macro is shown in Figures 4 and 5, In the first figure we show a formula fragment using only basic commands and a reference to a macro called "THINDOWN". The Formulator program inserts the text from that macro, shown in the next figure. 

Where one man shoots another in cold blood, proof of the possession of a pistol is sufficient demonstration of the power to kill. But where, as here, a criminal assault upon the whole world is charged, the proof is more complex. And, unfortunately, it is often extremely dull. It is nonetheless vitally relevant to show what power the accused commanded. 

The long command tells the program to show the reaction s equilibrium constant versus temperature and calculate its equilibrium equation pH = causes the program to render the equation in terms of pH instead of log aH+. To find the equilibrium lines written in terms of pe and Eh, we type... 

Figure 15.8 shows the calculation results, and in Figure 15.9 the reaction path is projected onto an /o2-pH diagram drawn for the Fe-S-H20 system. (To project the path onto the diagram, we complete the reaction path, start act2, enter the commands... 

I chose to use this software for reasons that extend beyond familiarity and prejudice the programs are interactive and take simple commands as input. As such, I can include within the text of this book scripts that in a few lines show the precise steps taken to calculate each result. Readers can, of course, reproduce the calculations by using any of a number of other modeling programs, such as those listed in Appendix 1. Following the steps shown in the text, they should be able to construct input in the format recognized by the chosen program. 

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