Re: [ccp4bb] xprep vs shelxc

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CCP4bb <-- 2008 <-- February 2008 <-- 13 February 2008

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From: Derek Logan Derek {- dot -} Logan {- at -} MBFYS {- dot -} LU {- dot -} SE
Date: 2008-02-13

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From: Tim Gruene tg {- at -} SHELX {- dot -} UNI-AC {- dot -} GWDG {- dot -} DE
Date: 2008-02-13

Subject: Re: xprep vs shelxc
From: Tim Gruene tg {- at -} SHELX {- dot -} UNI-AC {- dot -} GWDG {- dot -} DE
Date: 2008-02-13

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
>

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CCP4bb <-- 2008 <-- February 2008 <-- 13 February 2008

Previous message:
Subject: Thermofluor again
From: Derek Logan Derek {- dot -} Logan {- at -} MBFYS {- dot -} LU {- dot -} SE
Date: 2008-02-13

Next message:
Subject: Re: summary: sgi dials on intel mac
From: Tim Gruene tg {- at -} SHELX {- dot -} UNI-AC {- dot -} GWDG {- dot -} DE
Date: 2008-02-13