On Friday 28 November 2008, Mueller, Juergen-Joachim wrote: > > Dear all, > does anybody know a program to > fill an unit cell a,b,c randomly by an arbitrary number > of spheres (atoms)?
First you would need to define "random". Uniform density throughout the lattice? Uniform distribution of neighbor-neighbor distances? Uniform fractional coodinates? Must the placement conform to space group symmetry? It is probably impossible to satisfy all of the above jointly. -- Ethan A Merritt Biomolecular Structure Center University of Washington, Seattle 98195-7742
