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New Computer Methods For Protein Crystallography, Martin Zwick

Complex Systems Faculty Publications and Presentations

New Computer Methods for Protein Crystallography, by Martin Zwick. Submitted to the Department of Biology on 30 August 1968 in partial fulfillment of the requirements for the degree of Doctor of Philosophy. The section, "MYOGLOBIN REFINEMENT," describes the fitting of an idealized polypeptide chain to a set of approximate backbone coordinates for the protein, sperm whale myoglobin. This procedure refines the structure by imposing upon it known bond distances and angles, and simultaneously derives a representation of the polypeptide conformation in terms of the values of the rotation angles about its single bonds. The overall rms and mean deviation between …

Electronic Computers - A Historical Survey In Print, Saul Rosen

Department of Computer Science Technical Reports

No abstract provided.

An Evaluation Of Five Polynomial Zero Finders, David S. Dodson, Phillip A. Miller, William C. Nylin, John R. Rice

Department of Computer Science Technical Reports

No abstract provided.

Least Squares Cubic Spline Approximation I - Fixed Knots, Carl De Boor, John R. Rice

Department of Computer Science Technical Reports

No abstract provided.

Least Squares Cubic Spline Approximation, Ii - Variable Knots, Carl De Boor, John R. Rice

Department of Computer Science Technical Reports

No abstract provided.

Planning Flood Control Measures By Digital Computer, James Norris Cline, L. Douglas James

KWRRI Research Reports

The purpose of this study was to develop adequate guidelines whereby those interested in flood control planning would be able to apply a pair of digital computer programs known as the University of Kentucky Flood Control Planning Programs to ease the computational burden of evaluating specific flood control situations. Program II determines the economically optimum combination of channel improvement, land use restriction, and flood proofing for flood damage abatement. Program III also incorporates reservoir storage into the planning process. The Programs are not intended to provide a finished design but rather to select the optimum combination of flood control measures …

A Comparison Of Three Numerical Techniques Used For The Solution Of The Two-Point Boundary Value Problem, William Richard Krall

Masters Theses

"Three numerical approximation techniques, called the Initial step, Shooting, and Direct Finite Difference Techniques, respectively, are compared and discussed as they apply to the solution of both linear and non-linear boundary-value problems of the form y"=f(x,y,y') with endpoint conditions y(x_o)=y_o and y(x_n)=y_n. The techniques are compared with respect to speed and accuracy by comparing the solution of each problem considered four times, each time for a different increment value, and comparing the errors at four pivotal points chosen at equally spaced distances over the domain of the function, to give an indication of …

Problems Encountered With Control Networks In Highly-Restructurable Digital Systems, Donald F. Wann, Robert A. Ellis, Mishell J. Stucki, Robert M. Keller

All HMC Faculty Publications and Research

This paper discusses problems encountered with control networks in highly restructurable digital systems. In particular the treatment of implementation errors is covered with emphasis on concurrent processing. The implementation of concurrent processing networks may result in errors which will be quite complex to detect and systematic methods are warranted. Four meta control elements are employed in obtaining convenient concurrent structures. We analyze several error detecting schemes and conclude that the arc-node method with node partitioning appears to be the most realistic approach at this time.

Comparative Analysis Of Polynomial Root Finding Techniques, Charles Ray O'Daniel

Masters Theses

"The purpose of this study was to investigate and recommend various methods instrumental in finding the roots of a polynomial p(x) = 0. Many different methods are present today, and each has its advantages and disadvantages.

Through thorough investigation, the author has ascertained the key methods to be the method of Bisection, the Newton-Raphson method, and the Bairstow method. Special support in the form of algebraic theorems on the locations and kind of roots are extremely helpful. This combination of theorems and methods provides assurance, speed, and the ability to obtain complex roots.

The Bisnewbar method developed by this author …

Stable Predictor-Corrector Methods For First Order Ordinary Differential Equations, Terrell Lester Carlson

Masters Theses

"Because of the wide variety of differential equations, there seems to be no numerical method which will affect the solution best for all problems. Predictor-corrector methods have been developed which utilize more ordinates in the predictor and corrector equations in the search for a better method.

These methods are compared for stability and convergence with the well known methods of Milne, Adams, and Hamming"--Abstract, page ii.

A Comparison Of The Lr And Qr Transformations For Finding The Eigenvalues For Real Nonsymmetric Matrices, Susan Clara Hanson

Masters Theses

"The LR and QR algorithms, two of the best available iterative methods for finding the eigenvalues of a nonsymmetric matrix associated with a system of linear homogeneous equations, are studied. These algorithms are discussed as they apply to the determination of the eigenvalues of real nonsymmetric matrices.

A comparison of the speed and accuracy of these transformations is made. A detailed discussion of the criterion for convergence and the numerical difficulties which may occur in the computation of multiple and complex conjugate eigenvalues are included.

The results of this study indicate that the QR algorithm is the more successful method …

A Simulation Study Of A Proposed Computer Installation, John Edward Hawthorne

Masters Theses

"The operation of a data processing center has been studied with the objective of investigating the effect of various facilities, job loads, and operating policies as measured by job turnaround time. The mechanism for study was digital computer simulation.

This thesis purports to review the technology of simulation and the associated computer techniques, defines the problem and the alternatives available, and analyzes the results derived from the experiments.

Conclusions drawn from this study support the current practice of a functioning data processing center"--Abstract, page ii.

Error Analysis Of Rational Approximations Of Functions With Emphasis On Minimax Techniques, Mary Frances Good

Masters Theses

"This study examines the various considerations which are made when a function is approximated by a rational function. None of the four approximations considered here gives both a rapidly calculated approximation and one in which the maximum magnitude of the error function over a given interval is a minimum.

The second algorithm of Remes produces a sequence of rational approximations which converge to the rational approximation that minimizes the maximum magnitude of the error function for a given number of parameters to be calculated if the initial approximation in the sequence is chosen properly. Several rational function approximations are investigated …

A Study Of The Development Of A Heuristic Program That Solves Symbolic Laplace Transformation Problems, Arthur E. Zackrison

Masters Theses

"A medium-speed general purpose digital computer (IBM 1620 Model II) was programmed to solve symbolic Laplace transformation problems. Although the applied mathematician and modern engineer has many uses for the symbolic solution of a problem, the potential of symbolic manipulation by a computer has not yet been sufficiently developed to help them because of many problems. This paper discusses the program and based on the author’s experience with it’s [sic] performance, clarifies the position of several of these difficulties and reaches some conclusions concerning computer solution of such problems"--Abstract, page ii.

The Generalized Inverse In Linear Programming Basic Theory, L. Duane Pyle

Department of Computer Science Technical Reports

No abstract provided.

A Parameter Perturbation Technique Applied To Multipoint Iteration Functions For The Solution Of Systems Of Nonlinear Equations, Robert N. Delozier

Masters Theses

"The convergence of classical iterative procedures, when applied to a system of nonlinear algebraic or transcendental equations, is highly dependent upon a good initial approximation to the desired roots. Most of the classical iterative schemes have convergence factors between one and two. In this paper iterative schemes of order two and greater are studied in connection with a parameter perturbation process. The parameter perturbation process relaxes the restrictions on the choice of initial values. The procedure divides each problem into a number of subsidiary problems. Each subsidiary system of equations is then solved until a solution is found to the …

Near Optimal Sequencing :N Jobs And M Machines; All Jobs To Be Processed Through The Same Order Of Machines, Larry Glen Clark

Masters Theses

"There is a need, in industry, for an efficient method of determining an optimal sequence for processing a number of jobs through two or more machines. A method which requires a minimum amount of time would be most beneficial. The purpose of this study has been to define such a method. Tests on the method described indicate that although an optimal solution is not always obtained, the solutions obtained are quite good and due to the time factor the method would be beneficial to industry"--Abstract, page ii.