Abstract

PreLALS workbench is designed to aid users in the task of visualizing chemical structures using three-dimensional models, editing and the data manipulation for WinLALS program that refines the internal coordinates based on linked-atom least-squares (LALS) method for helical polymers. It combines the views of model building (MB), analyses, and data preparation tools with easy-to-use graphical user interfaces. We describe the outline of the WinLALS program with mathematical expressions and explain the several functions of the PreLALS workbench using each menu of the data preparation and example dialogs. The PreLALS workbench runs on most IBM compatible Windows PCs having a minimum of Pentium and the operating system must be either Windows 2000, 98, Me or XP.

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