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
