[ccp4bb] website back up

2007-05-22 Thread Bart Hazes
Hello all! Our good old 100MHz pentium web server died a (too long) while ago and while it was down several people have asked when it would be back up. I reinstalled it over the weekend and as far as I can see it all works again. If you had been using it you can do so again at the same address

Re: [ccp4bb] refmac runs, but no output files

2007-05-22 Thread William Scott
It's guessing time, but it looks like you don't have write permission to the directory in which ccp4i/refmac is trying to direct the output file (or maybe the directory no longer exists, etc). Jhon Thomas wrote: > Hi all > I am using CCP4i, and running refmac for the > refinement

[ccp4bb] refmac runs, but no output files

2007-05-22 Thread Jhon Thomas
Hi all I am using CCP4i, and running refmac for the refinement of the my data. I have ran this many times earlier successfully. Now as i run the refamc5 , it runs successfully and complete the job,but not writing any output file. At the end of the logfile, i get a sat

[ccp4bb] degassed commercial screen kits

2007-05-22 Thread Yue Li
Hi All, I am working on an Fe-S cluster protein. Generally, I do the initial screen using the commercial kits, like Hampton screen kits, etc.. Do you have any experience in degassing these commercial kits before setting up the trays ? How to deal with the solutions in the kit which contain orgainc

[ccp4bb] Post-doctoral position: Algorithm Development

2007-05-22 Thread Tilo Strutz
POST-DOCTORAL FELLOWSHIP IN SCIENTIFIC PROGRAMMING AND ALGORITHM DEVELOPMENT Applications are invited for a post-doctoral position at the Structural Biology Unit of the EMBL in Hamburg, Germany, in scientific programming and algorithm development for image processing. The successful applicant will

Re: [ccp4bb] calc. of rots to align recip. space axes w/ beam

2007-05-22 Thread Boaz Shaanan
Is d*trek free these days ? (see original message from Bryan). Boaz - Original Message - From: Jim Pflugrath <[EMAIL PROTECTED]> Date: Tuesday, May 22, 2007 3:59 Subject: Re: [ccp4bb] calc. of rots to align recip. space axes w/ beam To: CCP4BB@JISCMAIL.AC.UK > d*TREK does t

Re: [ccp4bb] CNS problem: anneal.inp segmentation fault

2007-05-22 Thread jean
Thank you all for your suggestions. Unfortunately I am still stuck with the segmentation fault problem. The swap partition is mounted fine. Setting max_chains to a lower number does nothing. There's nothing wrong with my selection criteria (0 atoms were selected as rigid groups, 36 for ann

Re: [ccp4bb] twwining operator

2007-05-22 Thread James Irving
Hi Siva, SFCHECK (part of CCP4i) has a very handy option for this. From the command line: % mkdir mydir % sfcheck -f mydata.mtz -po mydir/ -out u -r % gv mydir/sfcheck_.ps (or ghostscript/xpsview/whatever postscript viewer you have) This will generate a number of output files, includin

Re: [ccp4bb] Molecular Replacement of a Known Anomalous Substructure

2007-05-22 Thread Murray, James W
Dear All, The authors of the following paper used molecular replacement of the substructure to locate the heavy atoms. The known 11-fold symmetry meant that the heavy atoms had to be in a circle - molecular replacement with circles of different radii did the trick. Antson et al. Nature, Vol