Endeavour Software - Structure Solution from Powder Diffraction Data
This could be old news to those who keep up to date with Sincris
and Crystallography World Wide -
Following is information on the "Endeavour" "global optimisation"
structure solution from powder diffraction data software.
The below web-site also includes the ability to download a free
fully funtional beta/evaluation version of the software that works
on a variety of UNIX and PC operating systems.
This includes not only the structure solution software but also
"SFND/RGS" symmetry finder programs.
"Endeavour solves crystal structures from powder diffraction data. It constructs
a structural model from given composition, unit cell dimensions and diffraction
data (given as a peaklist). The calculation is based on a combined global
optimization of difference between calculated and experimental
diffraction pattern and of the potential energy of the system. Further
information may be found on the internet:"
http://www.crystalimpact.com/endeavour/
Lachlan.
--
Lachlan M. D. Cranswick
Collaborative Computational Project No 14 (CCP14)
for Single Crystal and Powder Diffraction
Daresbury Laboratory, Warrington, WA4 4AD U.K
Tel: +44-1925-603703 Fax: +44-1925-603124
E-mail: [EMAIL PROTECTED] Ext: 3703 Room C14
NEW CCP14 Web Domain (Under heavy construction):
http://www.ccp14.ac.uk
