Re: [ccp4bb] xprep vs shelxc

2008-02-13 Thread George M. Sheldrick
XPREP and SHELXC use different algorithms and sometime one of them will give better results than the other. In particular for MAD data, XPREP takes the actual f' and f" values into account and can refine them if you have at least three wavelengths, whereas SHELXC uses standard values and scales

Re: [ccp4bb] xprep vs shelxc

2008-02-13 Thread Tim Gruene
Hello Bram, I never did try to receive the xprep demo version twice, there is no need to worry about your administration. I am sorry I had this false concept about Bruker's xprep policy and grateful you corrected it on the board. Working in George Sheldrick's group I never had reason to cons

Re: [ccp4bb] xprep vs shelxc

2008-02-13 Thread Bram Schierbeek
Hi Tim, Unfortunately your statement is not true. The XPREP program was written by George Sheldrick over many years and it is proprietary software distributed by Bruker AXS. We unbundled it from our complete SHELXTL structure solution and refinement package, specifically also to serve macromol

Re: [ccp4bb] xprep vs shelxc

2008-02-13 Thread Tim Gruene
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 recei

[ccp4bb] xprep vs shelxc

2008-02-12 Thread Tommi Kajander
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 differenc