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
crystallograp
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
