In my hands shelxc/d/e pipeline as it is implemented in ccp4 is working perfectly. After slowing structure yesterday using hkl2map I resolved it using ccp4 to have faster access to buccaneer or ARP/wARP. Needless to say that I used data I have measured in the form of output.sca from SCALEPACK. So it is probably really only converting of MTZ to SCA that induces problem.
Dr Felix Frolow Professor of Structural Biology and Biotechnology, Department of Molecular Microbiology and Biotechnology Tel Aviv University 69978, Israel Acta Crystallographica F, co-editor e-mail: mbfro...@post.tau.ac.il Tel: ++972-3640-8723 Fax: ++972-3640-9407 Cellular: 0547 459 608 On Nov 6, 2012, at 16:54 , Tim Gruene <t...@shelx.uni-ac.gwdg.de> wrote: > -----BEGIN PGP SIGNED MESSAGE----- > Hash: SHA1 > > Dear all, > > since there were more than one remark about the shelx c/d/e interface > in ccp4 6.3.0 crashing I just tried myself. > > I DO get output from shelxc, unlike e.g. Shanti Pal Gangwar who opened > one corresponding thread on this bb, but shelxc crashes because of > improper conversion of the mtz-file to sca-format. > > Since sca-format is fixed format, the data ought to be rescaled to > 99999.99, something e.g. the program mtz2sca > (http://shelx.uni-ac.gwdg.de/~tg/research/programs/mtz2x/mtz2sca/index.php) > does by default. > > I know that several pipelines have had this problem with mtz2various, > but I am not aware of a fix (I ran the ccp4 auto-update just now). > > I can recommend, however, that people either use Thomas Schneider's > GUI hkl2map or run shelx c/d/e from the command line - it is really > not difficult and explained e.g. in the tutorial available from my > web-site. > > http://shelx.uni-ac.gwdg.de/~tg/teaching/anl-ccp4/index.php > > I copy this to ccp4-dev hoping that the ccp4i GUI gets fixed soon. > I case there is a fix I am not aware of, I am sorry, no offence meant. > There have just been many comments (also personal, off-board) and I > hope this gives an answer to many of those who asked. > > Best, > Tim > > - -- > - -- > Dr Tim Gruene > Institut fuer anorganische Chemie > Tammannstr. 4 > D-37077 Goettingen > > GPG Key ID = A46BEE1A > > -----BEGIN PGP SIGNATURE----- > Version: GnuPG v1.4.12 (GNU/Linux) > Comment: Using GnuPG with Mozilla - http://enigmail.mozdev.org/ > > iD8DBQFQmSSaUxlJ7aRr7hoRAlb3AJ49M4a3wS7invlq2eMgI9NseWMXDACguZgL > 4B8Ghh3ifIafPDD9OdW4GlI= > =kfmx > -----END PGP SIGNATURE-----
