Re: [ccp4bb] cc1/2

2012-11-29 Thread Kay Diederichs
Dear Jay, I met Wladek Minor last week and I understood that there would be a version of SCALEPACK this week which outputs CC1/2. So ask the HKL crew, I'd suggest. Furthermore, the latest nightly builds of Phenix (since dev-1208) have mmtbx.cc_star which calculates CC1/2 and other quantities fr

[ccp4bb] Mg++ interactions

2012-11-29 Thread Carter, Charlie
Begin forwarded message: Date: November 28, 2012 8:18:37 AM EST To: "William G. Scott" mailto:wgsc...@ucsc.edu>> Subject: Re: [ccp4bb] Mg++ interactions Bill, I cannot answer your question, except to comment that in many, if not all Class I aminoacyl-tRNA synthetases, Mg++ is indirectly linke

Re: [ccp4bb] cc1/2

2012-11-29 Thread So Jay
Thanks to everyone for their suggestions. Jay Date: Thu, 29 Nov 2012 09:49:47 -0600 From: scjay2...@hotmail.com Subject: [ccp4bb] cc1/2 To: CCP4BB@JISCMAIL.AC.UK Dear All, Where exactly I can find cc 1/2 of Karplus and Diederichs, 2012 in XDS? Can I find a similar thing in HKL2000 pro

Re: [ccp4bb] cc1/2

2012-11-29 Thread Boaz Shaanan
and also in the CORRECT.LP. Boaz Boaz Shaanan, Ph.D. Dept. of Life Sciences Ben-Gurion University of the Negev Beer-Sheva 84105 Israel E-mail: bshaa...@bgu.ac.il Phone: 972-8-647-2220 Skype: boaz.shaanan Fax: 972-8-647-2992 or 972-8-646-1710 __

Re: [ccp4bb] cc1/2

2012-11-29 Thread Mooers, Blaine H.M. (HSC)
In the output file from xscale "XSCALE.LP" Look in the middle of the file for the table "STATISTICS OF SCALED OUTPUT DATA SET :" Blaine Mooers Assistant Professor Department of Biochemistry and Molecular Biology University of Oklahoma Health Sciences Center S.L. Young Biomedical Research Cente

[ccp4bb] cc1/2

2012-11-29 Thread So Jay
Dear All, Where exactly I can find cc 1/2 of Karplus and Diederichs, 2012 in XDS? Can I find a similar thing in HKL2000 processed data? ThanksJay

[ccp4bb] Postdoctoral Position at Birmingham, UK

2012-11-29 Thread Andrew Lovering
Dear Colleagues, Description for a postdoctoral position in the lab of Andrew Lovering, University of Birmingham, UK; work following on from our recent publication in Plos Pathogens: http://www.plospathogens.org/article/info%3Adoi%2F10.1371%2Fjournal.ppat.1002524 Funded by the BBSRC and in col

Re: [ccp4bb] Planar restraints in Refmac

2012-11-29 Thread Robert Nicholls
In the meantime, you can compact the line by replacing "external" with "exte" and "residue" with "resi". Not a general solution, but may help in the short term. Regards, Rob On 29 Nov 2012, at 11:10, Garib N Murshudov wrote: > Yes, it can be done. I may be able to do it soon. I have to find a

Re: [ccp4bb] Planar restraints in Refmac

2012-11-29 Thread Garib N Murshudov
Yes, it can be done. I may be able to do it soon. I have to find a better delimiter, + may not be good becuase it may be part of atom names. Another way would be: if you have more than 10-15 atoms then you can divide planes into several overlapping planes And yet another way (perhaps better way f

Re: [ccp4bb] Planar restraints in Refmac

2012-11-29 Thread Andrea Pica
Thank you very much to all of you for your replies. The external restraints mechanism works perfectly as far as you do not exceed 468 characters in a string. If one wants to restraint more than let's say 15 atoms it is not feasible! Is it possible to list the atoms in a more compact way? I h