X-ray structure analysis system for fibrous polymers using imaging plate and GUI

点击翻译按钮获取中文摘要

The aim of this research project is to improve X-ray structure analysis system for fibrous polymers which we are using in our laboratory and to circulate this system globally for the benefit of related researchers. We changed our initial plan because of the high performance personal computer being available on the market with reasonable price during four years of this research term. In our final plan, we divided the system into two parts, data processing part and structure analysis part. For the former part we use a Work Station and for the latter we use several MS-Windows PCs having a minimum of Pentium. In this project we mainly improved structure analysis part and following results were obtained.(1) WinLALS program was reconstructed from the latest version of LALS (Linked-Atom Least-Squares) program and coded with Fortran 90 to run on MS-Windows PC.(2) PreLALS was designed to help WinLALS users to prepare input data with easy-to-use graphical user interface, to view molecular and crystal structure at various stages of structure analysis, and to execute WinLALS.(3) Four computational results of WinLALS program for the compounds of chitosan, triacetylcurdlan, polyimide and poly(ethylenesuccinate) were completely coincident with those obtained by the recent version of LALS. There are many merits of using PCs, such as computational time, easy to use and cost efficiency without burden.