Display Graphics

As the graphical capabilities of the computer systems became more powerful simultaneously the number of visualized structures increased. With the introduction of raster graphics (1974) and colored raster graphics displays (1979), other forms of molecular representations were possible [197]. CPK models could be represented and colored bonds or molecular surfaces could be visualized. 

Nuclear Magnetic Resonance Spectroscopy. Bmker s database, designed for use with its spectrophotometers, contains 20,000 C-nmr and H-nmr, as weU as a combined nmr-ms database (66). Sadder Laboratories markets a PC-based system that can search its coUection of 30,000 C-nmr spectra by substmcture as weU as by peak assignments and by fiiU spectmm (64). Other databases include one by Varian and a CD-ROM system containing polymer spectra produced by Tsukuba University, Japan. CSEARCH, a system developed at the University of Vieima by Robien, searches a database of almost 16,000 C-nmr. Molecular Design Limited (MDL) has adapted the Robien database to be searched in the MACCS and ISIS graphical display and search environment (63). Projects are under way to link the MDL system with the Sadder Hbrary and its unique search capabiHties. 

The use of graphic displays as an essential element of computer-based instmctional systems has been exploited in a number of ways. Molecular modeling and visualization techniques have supplemented the traditional set of stick models in courses on organic and inorganic chemistry, and animation of molecular motion and of the progress or mechanism of chemical reactions has been a useful classroom tool. 

The process monitors and controllers typically also have the capabiUty for data logging, analysis, and display. This capabiUty has made on-line control of pilot plants, as well as commercial-scale processes, desirable. Pilot-plant appHcations for on-line control have been described (106), and the use of such systems for both monitoring and process diagnosis has been discussed (107). A number of commercially available process control programs that mn on microprocessors have been reviewed (108). Virtually all of them incorporate graphic display as an integral part of the interactive capabiUty of the program. 

The creation and analysis of process flow sheets has become much easier because of the availabihty of automated systems to draw and revise them. The goal of the use of the flow sheet as the input for process simulation and for process control is likely to be achieved reasonably soon. The use of interactive graphic displays for process monitoring and control is pervasive today. 

A method for graphically displaying individual risk results is use of the risk contour, or risk isopleth. If individual risk is defined as the likelihood of someone suffering a specified injury or loss, then individual risk can be calculated at particular geographic locations around the vicinity of a facility or operation. If the individual risk is calculated at many points surrounding the facility, then points of equal risk can be connected to... 

Figure 4-94. Graphic display screen indicating vibration behavior.

There are at least three different classes of crystallins. The a and (3 are heterogeneous assemblies of different subunits specified by different genes, whereas the gamma (y) crystallins are monomeric proteins with a polypeptide chain of around 170 amino acid residues. The structure of one such Y crystallin was determined in the laboratory of Tom Blundell in London to 1.9 A resolution. A picture of this molecule generated from a graphics display is shown in Figure 5.11. 

We can immediately discern from Figure 5.11 that the molecule is divided into two clearly separated domains that seem to be of similar size. For the next step we would need a stereopicture of the model or, much better, a graphics display where we could manipulate the model and look at it from different viewpoints. Here instead we have made a schematic diagram of one domain (Figure 5.12), which is normally not done until the analysis is completed and the structural principles are clear. 

Matthews was able to show, by model building on a graphics display, that the two recognition helices of the Cro dimer indeed fitted very well into the major groove of a piece of regular B-DNA as seen in Figure 8.9. The orientation... 

Fig. 6.4 Graphical display of frequency domain data for a first-order system.

The principal shortcoming with SCREENS is the lack of graphical displays. Interactive graphics that enable plume tracking are invaluable in assessing potential environmental impacts and public health risks from episodic releases. There are a... 

On-line system. Provides support for exposure assessments of toxic substances. Includes chemical properly estimation techniques, siahsiical analysis, multi-media modeling, and graphics display (including models)... 

The discussion below will focus briefly on the design of the graphic displays in order to illustrate the methodology used. The aim of the furnace operation (see Figure 7.15) is to achieve a specified output temperature of the crude oil. This is done by means of a master temperature controller which regulates the pressures of the fuels used. An air/fuel ratio controller regulates the flow of the combustion air, receiving as input the flow rates of the fuels... 

Another limitation concerns the duplication of process information on different VDU pages. Specifically, most of the data on the graphic displays were presented again in a different format on the text displays. This increased the number of VDU pages used in total to perform a task. This secondary navigation task undoubtedly increased the workload of the worker who had to control the process. Within the text displays themselves, information was not structured in a functional manner. TTiat is, information required by workers was... 

Because the staff were consulted extensively during the application of task analysis and error analysis methods, the information presented on the graphic display in Figure 7.17 corresponds with their own information needs. 

Once the worker has a display which enables the whole furnace unit to be monitored at a glance, it is then necessary to supply more detailed information on each individual furnace. This display should represent the process in a way which facilitates comprehension of the heat transfer stages and provides all relevant information required to fulfill the objecHves of safe and efficient firing. Figure 7.17 presents a recommended graphic display at a more detailed level of system description. 

An alternative to a graphical display is to calculate the rate constant for each data point using the integrated rate equation, seeking constancy in the calculated k values. 

HyperChem 5.1 has a nice graphical display (Figure 14.11) of calculated vibrational frequencies and it is also possible to animate the vibrations. The bottom part of the display shows the calculated intensities of the spectral lines. 

Outputs are available in either analogue (D.C. or A.C.) or digital form. Digital output may connect the meter to computers (either portable or office based) for more complex calculations or to produce larger graphical displays. 

All vibration monitoring systems have finite limits on the resolution, or ability to graphically display the unique frequency components that make up a machine s vibration signature. The upper limit (Fmax) for signature analysis... 

A Gantt chart is a horizontal bar chart that graphically displays the time relationship of the steps in a project. It is named after Henry Gantt, the industrial engineer who introduced the procedure in the early 1900s. A line placed on the chart in the time period when it is to be undertaken represents each step of a project. When completed, the Gantt chart shows the flow of activities in sequence as well as those that can be under way at the same time. 

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