[ccp4bb] Annoying coot issue

2007-11-26 Thread James Stroud
Anyone have undefined symbols (referenced from ImageIO) in the libjpeg provided by coot 0.3.2? Running OS X 10.4.10. Maybe there is a libjpeg dylib to drop in? Here is the traceback: % coot current_exe_dir is /usr/programs/coot/g5/coot-0.3.2/bin COOT_PREFIX is

Re: [ccp4bb] Annoying coot issue

2007-11-26 Thread James Stroud
I finked the 0.4 pre-release. It seems to work. I think the binaries are broken, so don't waste your time with them. James On Nov 26, 2007, at 1:38 AM, James Stroud wrote: Anyone have undefined symbols (referenced from ImageIO) in the libjpeg provided by coot 0.3.2? Running OS X 10.4.10.

Re: [ccp4bb] Annoying coot issue

2007-11-26 Thread Paul Emsley
James Stroud wrote: I finked the 0.4 pre-release. It seems to work. Good. Do use wm_ffm for a less irritating experience. I think the binaries are broken, I think so too. Apple broke them. AFAICS. so don't waste your time with them. That is more or less the advice in the Coot FAQ.

Re: [ccp4bb] To bathe or not to bathe.

2007-11-26 Thread Nave, C (Colin)
To bathers and non bathers This is an interesting discussion with several relevant points. I agree that, if small beams can pick up the best bits of the crystal that is a very good reason for using them. The background arguments can be relevant and having the beam size at the detector matched

Re: [ccp4bb] difference of R_work and R_free as a function of resolution

2007-11-26 Thread Bjørn Pañella Pedersen
Dear Kay. If it is still relevant, the following article by Kleywegt and Jones also look at the correlation between R and Rfree as a function of resolution and find it to be: Rfree = 1.065*R + 0.036. Kleywegt GJ, Jones TA. Homo crystallographicus--quo vadis? Structure. 2002 Apr;10(4):465-72.

[ccp4bb] Postdoc position at MAX-lab, Lund, Sweden

2007-11-26 Thread Thomas Ursby
A 2-year postdoc position is available at the swedish national synchrotron radiation lab, MAX-lab, hosted by Lund University, Lund, Sweden. The postdoc will focus on learning state-of-the-art methods for phasing experiments using anomalous scattering and to further develop these in the

[ccp4bb] 2 Postdoc positions in Dundee

2007-11-26 Thread Alice Dawson
University of Dundee, College of Life Sciences Division of Biological Chemistry and Drug Discovery Enthusiastic and highly motivated individuals are sought to study key enzymes of microbial pathogens. In particular to advance fundamental understanding of biosynthesis and inhibition of

Re: [ccp4bb] To bathe or not to bathe.

2007-11-26 Thread Richard Gillilan
I just noticed this thread. I should make a few comments. We regularly provide microbeam with and without Helium here at MacCHESS. Yes, there are cases in which microbeam can give you good diffraction on large crystals when a larger beam cannot. Just last week we had a user group

Re: [ccp4bb] To bathe or not to bathe.

2007-11-26 Thread Juergen Bosch
Richard Gillilan wrote: I am currently working on guidelines for when helium and microbeam are necessary (based on both simulations and explicit measurements). At the present time, my feeling is that crystals below 50 micron can certainly make the extra hassle worthwhile. It really

Re: [ccp4bb] To bathe or not to bathe.

2007-11-26 Thread Nave, C (Colin)
Note the density of air is approximately 1000 times less than a protein crystal. The total scatter for a beam going through a 50 micron thick crystal will be similar to that from 50mm air. Most beamlines will have a path length less than this but nevertheless the air scatter will be significant

Re: [ccp4bb] To bathe or not to bathe.

2007-11-26 Thread Richard Gillilan
Hi Juergen, the original calculation was done with I/SIG's from scala. Yes, I am aware of the problems obtaining reliable and meaningful I/SIG with CCD data. I have gone through the exercise of trying to get agreement between scala and scalepack by optimizing error model parameters ...

[ccp4bb] Two postdoc positions in Structural Biology--University of Pittsburgh

2007-11-26 Thread Peijun Zhang
POSTDOCTORAL FELLOW POSITIONS STRUCTURAL BIOLOGY UNIV. OF PITTSBURGH Two postdoctoral fellow positions are available in my laboratory within the Department of Structural Biology at University of Pittsburgh. Our research is mainly focused on structure determination of macromolecular assemblies

Re: [ccp4bb] Cif file in coot

2007-11-26 Thread Manish C Pathak
Hello Yang, You need dictionary for the residue 'abc' which will have all the geometric restraints defined. You can read the residue co-ordinates in Monomer Library Sketcher in CCP4i and writeout the dictionary file using LIBCHECK. You will be able to refine abc once you import monomer CIF

[ccp4bb] Special Announcement: New IUCr Journal

2007-11-26 Thread Bernhard Rupp
Selected structure papers of Nature and Science are now published in a newly established IUCr journal: Acta Retracta. - Bernhard Rupp http://www.ruppweb.org/

Re: [ccp4bb] To bathe or not to bathe.

2007-11-26 Thread Richard Gillilan
In our current helium box, there is a total of about 28 mm of beam exposed. 10 mm from the aperture of the optic and 18 mm from sample to beamstop. The 10 mm side working distance is very tight for hand mounting (little room for tongs) and falls just outside the shield stream for cryo.

[ccp4bb] post-doc position in Gif sur Yvette (France)

2007-11-26 Thread Marcel Knossow
STRUCTURAL BIOCHEMISTRY OF THE INTERACTION OF KINESINS WITH TUBULIN A post-doctoral fellowship is available at the Laboratoire d'Enzymologie et Biochimie Structurales (LEBS), CNRS, Gif-sur-Yvette, France. The contract will be initially for a period of one year. Our group works on the

Re: [ccp4bb] To bathe or not to bathe.

2007-11-26 Thread Jacob Keller
Concerning the bathing, I think there is at least this point, which I do not think has been mentioned, to wit: Considering that radiation damage is now present, I would guess, in virtually all synchrotron-collected datasets, and considering that probably this information could be used in

Re: [ccp4bb] To bathe or not to bathe.

2007-11-26 Thread Sanishvili, Ruslan
Folks, As expected, discussion about to bathe or not to bathe are starting to expand into other aspects of data collection and processing. Along the way I saw reference to how we use our small beams on GM/CA beamlines in sector 23 of APS. Without going into discussions of advantages and

[ccp4bb] Position available in Australia

2007-11-26 Thread Margaret Bills
RESEARCH FELLOWS/RESEARCH ASSISTANT/ PhD SCHOLARSHIP BIOCHEMISTRY MOLECULAR BIOLOGY OPPORTUNITIES IN THE ROSSJOHN LABORATORY The protein crystallography unit at Monash University, Melbourne, Australia, headed by Prof Jamie Rossjohn, ARC Federation Fellow, seeks talented scientists to join

[ccp4bb] Scientist / Programmer position available

2007-11-26 Thread Jim Pflugrath
Folks, I wanted to call your attention to the following position(s) available at Rigaku. Thanks, Jim Scientist/Programmer Rigaku, the world's largest analytical X-ray company, is seeking experienced scientific programmers to join well-recognized Rigaku scientists such as Jim Pflugrath,

Re: [ccp4bb] To bathe or not to bathe.

2007-11-26 Thread bas
- Original Message - From: Nave, C (Colin) [EMAIL PROTECTED] Several have raised the issue of radiation damage. The strategy which Bob mentions can make sense, ensuring fresh parts of the crystal are regularly brought in to the beam. I would have thought 5-10 micron beams were rather

[ccp4bb] Genome Biology 2007 8:103

2007-11-26 Thread Bernhard Rupp
Dear All, UCI does not subscribe to Genome Biology - I'd be grateful if someone might share a pdf of: And the second shall be first Gregory A Petsko Genome Biology 2007 8:103 Thx, br - Bernhard Rupp 001 (925) 209-7429 +43 (676)

Re: [ccp4bb] Genome Biology 2007 8:103

2007-11-26 Thread Bernhard Rupp
thanks to all - got it ! br -Original Message- From: CCP4 bulletin board [mailto:[EMAIL PROTECTED] On Behalf Of Bernhard Rupp Sent: Monday, November 26, 2007 4:45 PM To: CCP4BB@JISCMAIL.AC.UK Subject: [ccp4bb] Genome Biology 2007 8:103

Re: [ccp4bb] To bathe or not to bathe.

2007-11-26 Thread James Holton
Manjasetty, Babu wrote: Hi there, 1. See attached for life-time of crystals (How long will my crystal lost?) at various beamlines in the world. 2. The citations for the beauty and quality of the datasets from bending magnet beamlines. Please read most of the papers from Dauter group.