CRYSTALFF--from crystallography to EXAFS multiple-scattering calculations with FEFF.
CRYSTALFF is an alternative utility to ATOMS containing most of the features of this standard program for converting crystallographic data to FEFF input. In addition, it offers an interface with molecular modelling programs via the PDB format and new coordination sphere analysis options.
Provost
K
K
Groupe de Physique des Milieux Denses, Université Paris XII-Val de Marne, 61 av. du Général de Gaulle, 94010 Creteil, France. provost@univ-paris12.fr
Champloy
F
F
Michalowicz
A
A