Endeavour Version 1.3 has been released
The new version 1.3 of Endeavour has been released on
October 27, 2005. It includes the long-awaited Hofmann potential, which
was recently published in detail in the literature: D.W.M. Hofmann, L.N.
Kuleshova, Crystallography Reports 50 (2), 372-374 (2005).
Using this potential the crystal structures of rigid molecules
can be solved much easier, the potential being even capable of predicting the
crystal structures of rigid molecules without using any powder diffraction
data: D.W.M. Hofmann, J. Apostolakis, "Crystal structure prediction by data
mining", J. Mol. Struc. (Theochem) 647, 17-39 (2003). The new potential does
not contain any parameters which have to be adjusted by the user, so that its
usage is extremely simple.
In addition to the new potential, Endeavour 1.3 includes an
automatic online updating facility similar to Match!.
Not forget to mention, there are also two bugs that have been
a) Four typing errors in the parameter table for the atomic form factor
calculation have been corrected. Affected elements: H, Sc3+, Ru4+, Bi5+.
b) A bug leading to the distorted drawing of atoms and other objects on PC
screens with a width/height ratio different from 4 : 3 has been fixed.