> I need to calculate bond lengths and angles of several compounds from
> their atomic positions and cell parameters. I know there are some programs
> that can be used to do this but none of them can give uncertainties of
> the calculated bond parameters (Of course, I will input errors for
> atomic coordinates and cell constants). Could anyone recommend me a
> program(s) for this purpose?
Sadian 91 is one option.
http://www.ccp14.ac.uk/ccp/ccp14/ftp-mirror/csirominerals-anon-ftp/pub/xtallography/sadian91/
----
Where on the web is there a freestanding
distribution of the ORFEE program? There is a version
that comes with FAT Rietan but am not sure how
integrated this is.
Lachlan.
--
Lachlan M. D. Cranswick
Collaborative Computational Project No 14 (CCP14)
for Single Crystal and Powder Diffraction
15th December 1999 to 4th March 2000
Queen's University, Dept Geological Sciences,
Miller Hall, Union St, Kingston, Ontario
Canada, K7L 3N6
Daresbury Laboratory, Warrington, WA4 4AD U.K
Tel: +44-1925-603703 Fax: +44-1925-603124
E-mail: [EMAIL PROTECTED] Ext: 3703 Room C14
http://www.ccp14.ac.uk
