Computational steering

An oxygen sensor array using these principles was developed by Liebsch et al. [60]. A modification of the applied imaging set up is illustrated in Fig. 7. It consists of a CCD camera with a fast mechanical shutter, an array of 96 pulsed LEDs, a computer-steered pulse generator, a constant power supply, a light-guiding adapter with 96 optical fibers, and the corresponding excitation and emission filters. 

S.G. Parker, D.M. Weinstein, and C.R. Johnson. The SClRun computational steering software system. In E. Arge, A.M. Bruaset, and H.P. Langtangen (Eds.), Modem Software Tools in Scientific Computing, pp. 1-40. Birkhauser Press, Boston, 1997. 

S.G. Parker. The SClRun Problem Solving Environment and Computational Steering Software System, University of Utah, 1999. 

Fluorescence spectrometers are widely used in the metal industry. Frequently, parallel spectrometers are employed. Such an instrument actually consists of a number of crystal spectrometers, each set for a particular emission line. The spectrometers are arranged around the sample, which is irradiated by an X-ray tube. One of the spectrometers is set for a standard sample that is contained in the sample holder. In this way the intensity of the X-ray tube can be monitored. Frequently, a measurement is terminated when a preset number of comits for the reference sample has been obtained. The corresponding number of counts from the other detectors can then be directly used for a pai allel assessment of the elemental composition of the sample. With a sequential spectrometer, a number of selected elements are measured sequentially by turning the crystal and the detector to preset positions. With computer steering the measurement process is automatic. This type of instrument is well suited for varying types of analysis, whereas parallel spectrometers are more suited to continuous control operation of, for example, a steel mill in near-real time. 

Computational models, which also called simulation models, used to design new systems study and improve the behavior of existing systems. They allow the use of an interactive design methodology (sometimes called computational steering) so used in most branches of science and engineering (Fig. 21.3). 

Computational steering The modeler should be able to interact with a simulation in real time to steer it towards a particular goal. This will require both algorithmic and hardware advances. 

Kozack R E, d Mello M J and Subramaniam S 1995 Computer modeling of electrostatic steering and orientational effects in antibody-antigen association Biophys. J. 68 807-14... 

Leech, J., Prins, J., Hermans, J. SMD Visual steering of molecular dynamics for protein design. IEEE Computational Science Engineering 3(4) (1996) 38-45... 

The first chapter, on Conformational Dynamics, includes discussion of several rather recent computational approaches to treat the dominant slow modes of molecular dynamical systems. In the first paper, SCHULTEN and his group review the new field of steered molecular dynamics (SMD), in which large external forces are applied in order to be able to study unbinding of ligands and conformation changes on time scales accessible to MD... 

Single-axis accelerometer systems are used in the steering tools and MWD tools for inclination and tool face data acquisition. Using a spreadsheet, compute the current values for each accelerometer in the following cases ... 

Owing to the personal interest and experience of the authors, the emphasis in this chapter is on using computers for drug discovery. But the use of computers in laboratory instruments and for analysis of experimental and clinical data is no less important. This chapter is written with young scientists in mind. We feel it is important that the new investigator have an appreciation of how the field evolved to its present circumstance, if for no other reason than to help steer toward a better future for those scientists using or planning to use computers in the pharmaceutical industry. 

Injection molding is a common process that we use to convert polymer granules to solid objects. Unlike the products made by continuous extrusion processes, discussed in Chapter 11, products made by injection molding are discrete objects, produced in individual mold cavities. We encounter injection molded products of all sorts in our daily lives, ranging from combs, bottle caps, and ballpoint pens to car steering wheels, camera bodies, and the keys on our computers. 

Several other techniques are available to compute the PMF. In this section we discuss the steered force molecular dynamics (SMD) [35-37] and the metadynamics of Laio and Parrinello [30-34]. 

Izrailev, S. Stepaniants, S. Isralewitz, B. Kosztin, D. Lu, H. Molnar, F. Wriggers, W. Schulten, K. Steered molecular dynamics, in Computational Molecular Dynamics Challenges, Methods, Ideas, Deuflhard, P. Hermans, 1. Leimkuhler, B. Mark, A. E. Skeel, R. Reich, S., Eds., vol. 4, Lecture Notes in Computational Science and Engineering. Springer Verlag Berlin, 1998, pp. 39-65. 

One could make the task even more difficult by introducing a lag into the joystick correction. This made it much like steering a small boat with a manual rudder, a task tending to produce overshoot. The device automatically computed the score by measuring the area of deviation under a one minute tracing. Practice on this task resulted in continually improving scores, so eventually we eliminated it from the protocol. 

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