A program for the assignment of coordination polyhedron to 7-coordinated species. (Described in F. Maseras, O. Eisenstein; New J. Chem., 21, 961-967, (1997))
Finds the most different terms in the vdW part of the MM3 output file of one molecule and its distorted form.
(Used in G. Barea, F. Maseras, Y. Jean, A. Lledós; Inorg. Chem., 35, 6401-6405 (1996).)
A series of programs for interconversion of input/output files between different programs. All of them: (a) very simple, (b) largely improvable, (c) poorly documented (and in different languages!).predi5 From gaussian94 to Chem3d (Cartesian coordinates 2).