xprep is free to academics. Since your signature says you work at the
University of Helsinki, you would only need to send an informal email to
bruker (you could try their contact form
http://www.bruker-axs.com/contact.html?&L=http%3A%2F%2Fhome.arcor.de%2Fjohnwayne92%2Finc.php
) in order to receive a binary. You do have to repeat this every year, but
I think this is a bearable burden.
As far as the differences between shelxc and xprep are concerned: shelxc
is meant to be a non-interactive basic version of xprep so that it could
be called from other programs. It's data preparation should be the same as
in xprep and if it really did worse than xprep, I am sure that the
improvement from xprep would find its way into shelxc in very little time.
We use hkl2map (from Thomas Schneider) routinely for phasing purposes, and
since hkl2map calls shelxc rather than xprep, I cannot confirm that xprep
prepares the data in a better way than shelxc.
Sincerely, Tim
--
Tim Gruene
Institut fuer anorganische Chemie
Tammannstr. 4
D-37077 Goettingen
GPG Key ID = A46BEE1A
On Wed, 13 Feb 2008, Tommi Kajander wrote:
Dear All,
A very simple stupid question: is it worth while getting xprep
instead of shelxc to do the same job? i realize xprep does a lot of
other things, but also seem to get the idea from some places that
it does a better job than shelxc at preparing data from shelxd, or is there
any difference (getting xprep will cost some money so i would like to know
where the difference lies if there is any significant difference??)
Thanks for advice,
Tommi
--
Tommi Kajander, Ph.D.
Macromolecular X-ray Crystallography
Research Program in Structural Biology and Biophysics
Institute of Biotechnology
P.O. Box 65 (Street address: Viikinkaari 1, 4th floor)
University of Helsinki
FIN-00014 Helsinki, Finland
Tel. +358-9-191 58903
Fax +358-9-191 59940
