File: transforms_mm.ps.gz (Preprint, Faculty of Informatics, Masaryk University, April 1995) Title: Smoothing Integral Transforms for Molecular Mechanics Force Fields Abstract: A new class of methods, based on a special type of smoothing integral transforms, has recently been developed to solve problems concerning conformational optimization in computational chemistry. These methods do not apply an optimization procedure directly to the original potential function, but trace low minima through a sequence of transformed potential functions with decreasing level of smoothing. This work studies the integral smoothing transforms in general and applies the theory to a class of potential functions which are typically used by molecular mechanics and related methods for computations with large molecules. It also addresses the problems of computational complexity of the transforms and their approximations. File: lop92.ps.gz Title: Efficient implementation of a CLP(R) system Abstract: Constraint Logic Programming language CLP(R) integrates logic programming and handling with constraints on real terms. CLP(R) allows easy writing of declarative programs for hypothetical reasoning and complex decisions based on results of floating-point computations. In this paper, an implementation of CLP(R) within a Prolog compiler, is described. The main aim of the implementation is to bring efficiency of CLP(R) programs nearer to programs written in procedural languages. A new incremental Simplex method is used to handle with linear constraints. Published in: Proc. Logic Programming Winter School and Seminar, pp.187--192, Rusava, Czechoslovakia, 1992.