Re: [ccp4bb] generating omit maps

2008-12-16 Thread Jiamu Du
sfcheck -f data.mtz -m model.pdb -omit 2 -map On Tue, Dec 16, 2008 at 6:29 PM, Alexei Vagin wrote: > SFCHECK (method unknown) >> >> > please see CCP4 documentation > -- Jiamu Du, Ph.D. State Key Laboratory of Molecular Biology Institute of Biochemistry and Cell Biology Shanghai Institutes fo

Re: [ccp4bb] O/T: microscopes

2008-12-16 Thread Jim Fairman
Clint, We have a Leica MZ125 scope with a Leica KL1500 LCD lightsource. It has adjustable zoom from 8x to 160x with the 16x occular lenses but can do up to 640x with a different occular. We also opted for the optional optical micrometer and polarizing lenses for looking at birefringence. Additio

[ccp4bb] O/T: microscopes

2008-12-16 Thread Clint Spiegel
Hi, I am looking to buy a modestly-priced zoom scope for x-ray crystallographic purposes ($2-3000). Does anyone have suggestions about what/where to possibly find this? I currently have a cheap one that goes from 7.5-50X, but I'd like something with a little more magnification, a better light so

[ccp4bb] Young Crystallographers Group

2008-12-16 Thread Arefeh Seyedarabi
Apologies for the misunderstanding. The Young Crystallographers Group is a British Group and we are looking for a candidate in Britain to fill the committee position vacancy. Many thanks, Arefeh Seyedarabi Biological structural Group committee member (Young Crystallographers Group)

Re: [ccp4bb] RMSD's authority

2008-12-16 Thread Ian Tickle
Hi Simon I think I can say without fear of contradiction that this is still a subject under debate, so I'm not at all surprised that the referees can't agree between themselves! I think there are actually two answers to your question: (1) what is the formally correct answer, and (2) what is the a

[ccp4bb] Young Crystallographers Group

2008-12-16 Thread Arefeh Seyedarabi
Young Crystallographers Group Committee position vacancy The Young Crystallographers Group founded in 2004 is devoted in bringing together the younger and the future generation of crystallographers who are undertaking either their PhD or Postdoctoral research in any of the biological, chemical, p

Re: [ccp4bb] RMSD's authority

2008-12-16 Thread Bernhard Rupp
bond angle an length rmsd is a completely context sensitive data item. It can be zero (for torsion angle refinement with fixed bonds and angles) up to the same rmsd values observed for small molecule targets. Anything in between is fair game, with the general tendency to become larger with more r

[ccp4bb] RMSD's authority

2008-12-16 Thread Simon Kolstoe
Dear ccp4bb, Can anyone point me to a table/paper that gives "acceptable" RMSD's for bond lengths and angles against resolution? We have had two different referees for a paper contradict each other and I am not sure what to use as a good authority for this. Thanks, Simon

Re: [ccp4bb] clapham, or ccp4 6.1.0 release

2008-12-16 Thread Jie Liu
We really appreciate all the efforts from the great CCP4 team. But I am sorry, there are no prebuilt executables for SGI IRIX6.5 now? There used to be such a bundle for the older versions. It's really a pain to do all the compilation which never go through smoothly. Shall we wait for such a bund

[ccp4bb] superpose structures .ssm or lsq which is better

2008-12-16 Thread junfeng liu
Dear All, I am overlaying several structures using coot. There are two ways SSM or LSQ can be used in that package. But I got clearly different result form the two methods. In my opinion SSM only works on the secondary structures and LSQ can works on the whole atoms ,main chain or CA. So

[ccp4bb] disulphide refinement

2008-12-16 Thread dziuba
Hi all, Can anyone tell me how to refine in Refmac a disulphide bond between symmetry-related molecules? Thanks in advance, Karolina

Re: [ccp4bb] generating omit maps

2008-12-16 Thread Alexei Vagin
SFCHECK (method unknown) please see CCP4 documentation

[ccp4bb] clapham, or ccp4 6.1.0 release

2008-12-16 Thread Charles Ballard
Dear All as we continue our journey up the A65 (towards the heart of Yorkshire) we are pleased to announce the release of Clapham (or 6.1.0). This is available form the usual locations http://www.ccp4.ac.uk/download/downloadman.php or ftp://ftp.ccp4.ac.uk/ccp4/6.1/ Obviously special tha

[ccp4bb] Recruitment in Structural Biology/Biophysics

2008-12-16 Thread Klaus Futterer
Dear All, The College of Life and Environmental Sciences at the University of Birmingham is seeking to recruit a research group leader in structural biology or a related discipline. Individuals pursuing the study of structure-function relationships in the context of membrane transport or

Re: [ccp4bb] About system absence in P4222?

2008-12-16 Thread Eleanor Dodson
Thank you Ian for the example - I hadnt thought of the effect of an NCS translation of (x,y,1/2) in higher than 2 fold symmetry.. Eleanor in Ian Tickle wrote: Hi Lijun, I take your point, and you're right I've confused someone else already! I made the NCS exact because a) I was using Eleanor

[ccp4bb] deadline for beamtime proposals at BM14 -ESRF for 2009 -submit your proposals now!

2008-12-16 Thread Martin A. Walsh
Dear all, deadline for submission of proposals for beamtime at BM14 for beamtime at ESRF for the first run of 2009 is this Friday, the19th decemeber 2008 -get in your proposals now before the christmas break!. Beamline proposals can be submitted on-line from the BM14 webpages at http://www.bm14.ac.