New draft page on this:
Available Software for performing Spacegroup and Structure Transformation
http://www.ccp14.ac.uk/solution/transform/
Still trying to chase a few extra programs up but additions,
corrections and suggestions appreciated.
Lachlan.
PS: Does anyone know if the NIST*Lattice program is available
on-line?
At 13:47 11/11/99 +0200, you wrote:
>Jon Wright wrote:
>>Can anyone point me in the right direction for using non-standard space
>>group settings ....
>
>Rather then answering, I'd like to widen Jon's question a little bit:
>
>Can anybody point to some software tool to recalculate atomic co-ordinates
>from non-standard space group representation to standard ones (or vice
>versa)?
>For ex., I have a structure described in B21/d and C21/a. How can I
>recalculate its atomic positions in P21/c (except manual matrix calculations
>off coarse :))
>
>Cheers,
>=========================================================
>Dr. Thomas Kerestedjian, Geological Institute, Bulgarian Academy of Sciences
>24 Georgi Bonchev Str., 1113 Sofia, Bulgaria. Phone: ++ 359 (2) 979 22 44
>mailto:[EMAIL PROTECTED], HTTP://www.geology.bas.bg/~thomas
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
http://www.ccp14.ac.uk
