Pavel There is a program from the computer stone-age called XP (nothing to do with Microsoft who though of the name many years later) that does exactly what you need (with the SGEN instruction). It is part of the Bruker SHELXTL software, maybe you can find a nearby small-molecule crystallographer who happens to have it.
George Prof. George M. Sheldrick FRS Dept. Structural Chemistry, University of Goettingen, Tammannstr. 4, D37077 Goettingen, Germany Tel. +49-551-39-3021 or -3068 Fax. +49-551-39-22582 On Wed, 10 Sep 2008, Pavel Plevka wrote: > Dear all, > I am looking for a program that can rotate atoms with anisotropic B factors > - not only change coordinates of the atom, but to modify the Anisou > coefficients too. > If you are confident that there is none let me know too ;-) > Pavel >