Struther Arnott | PubMed Health

PubMed2006

Historical article: DNA polymorphism and the early history of the double helix.

Early X-ray diffraction patterns from oriented fibres indicated that DNA must have a simple, repetitious structure and encouraged some researchers, who were already convinced that DNA was the genetic material, to undertake more detailed diffraction analyses and speculative modelling. The pioneering experimental work by Wilkins in the Wheatstone Laboratory at King's College London in the late 1940s first inspired, and then was overtaken by, the conjectural modelling of Watson and Crick in the Cavendish Laboratory at Cambridge. Why this was allowed to happen is still something of a puzzle. Here, I explore the puzzle and expose a peculiar flaw in the details of the original Watson-Crick model that was left for Wilkins to resolve.

Animals↗

PubMed2003

WinLALS for a linked-atom least-square refinement program for helical polymers on WINDOWS PCs.

Fiber diffraction dada from polymers are sufficiently different in kind and quantity from single crystal data as to warrant analyses with a different emphasis: refinement of competing molecular models where torsion angles and bond angles are the explicit variables rather than atomic coordinates. The first linked-atom least-squares (LALS) refinement program had been devolved at Arnott's laboratories at King's College London [Arnott, S., Wonacott, A.J., 1966a. Polymer 7, 157] on mainframe and several revised versions were maintained at Purdue University [Smith, P.J.C., Arnott, S., 1978. Acta Crystallogr. Sect. A 34, 3; Chandrasekan, R. 2000. LALS Users Manual, Whistler Centre for Carbohydrate Researchm Purdue University, West Lafayette, IN] on workstation. Today the LALS users have to choose correctly any one program that they want to use, trigonometric or Bessel functions, from some versions. To develop a new WinLALS program based on the dimensioned version of the latest LALS2000 program [LALS Users Manual (2000)], we reviewed all the mathematical expressions and corrected the optimization of the non-bonded atomic contact terms. The WinLALS is coded with FORTRAN 90 and runs on MICROSOFT-WINDOWS PCs and the many amendments including changing input/output assignments, expanding array sizes, arranging that the update files have all output parameters of each cycle, and correcting several bugs are performed. This paper describes the mathematical expressions in detail employed in WinLALS and compares results of its applications obtained with those obtained earlier.

Journal Article↗