[ccp4bb] 4th Winter School on soft X-rays in Macromolecular Crystallography
Hi Everyone, just a reminder about this. Yours Gordon 4th Winter School on soft X-rays in Macromolecular Crystallography We are pleased to announce that the 4th Winter school on soft X-rays in Macromolecular Crystallography will take place at the European Synchrotron Radiation Facility, Grenoble, France 6th 8th February 2012. An increasing number of new crystal structures of biological macromolecules structures are solved exploiting anomalous signals available at longer wavelengths. The main advantage of using longer wavelengths is that the anomalous signal from innate sulphur, phosphorous or other light atoms (e.g. Ca, K, Cl) can be used to obtain phasing information, thus obviating the need to prepare the derivative crystals usually used in macromolecular crystal structure solution. However, at longer wavelengths currently routinely accessible, such anomalous signals are rather small (usually ~ 1%). Special care must thus be given to experimental setups and data collection protocols. The Winter School brings together experts in the hardware and software required to successfully perform such experiments. The following topics will be covered: Optimised experimental setups for diffraction data collection at longer wavelengths Advanced data collection strategies, taking into account radiation damage Optimised protocols of data processing for longer wavelength experiments Anomalous scattering substructure determination using longer wavelength X-rays The Winter School will being held under the auspices of the ESRF Users Meeting and the number of participants limited to 20. Confirmed speakers at the workshop (see http://www.esrf.fr/events/conferences/users-meeting-2012-workshops/mx-school ) for provisional program) include: M. Cianci, EMBL Hamburg, Germany K. Djinovic-Carugo, Vienna Biocenter, Austria D. de Sanctis, ESRF, Grenoble, France P. Johansson, AstraZeneca Structural Chemistry Laboratory, Molndal, Sweden J. Liu, National Laboratory of Biomacromolecules, Beijing, China R. Giordano, ESRF, Grenoble, France G. Leonard, ESRF, Grenoble, France C. Mueller-Dieckmann, ESRF Grenoble J. Pflugrath, Rigaku, USA A. Popov, ESRF, Grenoble, France I. Uson, IBMB-CSIC, Barcelona, Spain A. Wagner, Diamond Light Source, UK B.C. Wang, University of Georgia, USA M. Wang, Swiss Light Source Villigen, Switzerland M.S. Weiss, Helmholtz-Zentrum für Materialien und Energie, Germany The Winter School registration fee of 150 includes all meals, 4 nights accommodation in the ESRF Guesthouse as well as registration for the ESRF Users' Meeting ( http://www.esrf.fr/events/conferences/users-meeting-2012-workshops/preliminary-programme ). Applications for participation in the Winter School should include a C.V., a letter of motivation, a poster abstract and (where appropriate) a recommendation letter from a PhD supervisor and be sent by Monday 12th December to the Winter School organisers at mx-winterschool2...@esrf.fr Further information concerning the workshop and application procedures can be found at http://www.esrf.fr/events/conferences/users-meeting-2012-workshops/mx-school On behalf of the organizers, Gordon Leonard
Re: [ccp4bb] Software for showing crystal packing
Beware: Nothing works very well if you have more than 1 molecule and they are distant from each other.. I usually start from PISA which will try to make a sensible assembly, then start from there.. Eleanor On 12/03/2011 04:08 AM, Roger Rowlett wrote: Swiss PDB viewer will do this. Also XPAND will fill a unit cell with a symmetry generated PDB. Roger Rowlett On Dec 2, 2011 11:05 PM, Yuri Pompeuyuri.pom...@ufl.edu wrote: Hello everyone, Whats a good software for showing crystal packing and unit cell, axes , etc... I know pymol and coot will do it but would love to hear other possibilities/ideas. Cheers,
Re: [ccp4bb] installation CCP4 on Win 7
Hi, It's hard to tell what's the problem, perhaps the installer is corrupted and you can re-download it and try again. You may try this one: ftp://ftp.ccp4.ac.uk/mww/CCP4-6.2.2.msi (it's 6.2.0 regardless the filename, the same content in new package) Best, Marcin From: CCP4 bulletin board [CCP4BB@JISCMAIL.AC.UK] on behalf of SUBSCRIBE CCP4BB Huo tong [heroho...@163.com] Sent: Sunday, December 04, 2011 2:51 AM To: ccp4bb Subject: [ccp4bb] installation CCP4 on Win 7 Hi all: I do not know if any installation problem on Win7 was discussed ever on the bbs, but this problem really makes me confusing. I download the CCP4 suit for windows on the CCP4 website(http://www.ccp4.ac.uk/download/os.php), and there is something wrong when I try to install it. After I click the installer, a DOS window jumps out but quickly closes by itself and then nothing happens. I suspect that the installation program is stucked by something and therefore it cannot run. Is there any advices？ I will appreciate for that!
[ccp4bb] AUC2012 in San Antonio, Texas
Hello all in CCP4BB-land. The 2012 Analytical Ultracentrifuge conference will be held in San Antonio, Texas March 25th-30th. It will include workshops, symposia and round table discussions on the latest developments in the field. There will be speakers from both the macromolecular structural and solution biophysics fields. Early career researchers are strongly encouraged to give oral presentations. The website for registration is: http://auc2012.uthscsa.edu/index.php And topics include: • Solution methods for studying macromolecules • Technical and methodological innovations in AUC • Innovations in data analysis • High-concentration systems, formulations and pharmaceutical applications • Hydrodynamic modeling • Aggregation and neuro-degenerative diseases • Chromatin and nuclear complexes • Cross-cutting techniques (light scattering, small angle X-ray and neutron scattering, ITC, SPR, NMR, etc. • Synthetic polymers, colloids and material sciences • Biological systems • Interacting systems and supramolecular assemblies These conferences have always had an overlap with small angle scattering and structural techniques and are an ideal forum for those wishing to present results using AUC on their particular structural system. Hope to see many of you there next March. Dave Scott (on behalf of the organising committee) Dr. David J. Scott Associate Professor and Reader in Physical Biochemistry National Centre for Macromolecular Hydrodynamics School of Biosciences University of Nottingham Sutton Bonington Campus Leicestershire. LE12 5RD. United Kingdom. Phone: +44 (0) 115 951 6221 Fax: +44 (0) 115 951 6142 Email: dj.sc...@nottingham.ac.uk Web: www.nottingham.ac.uk/ncmh
[ccp4bb] NE-CAT Low Resolution Workshop
Dear Macromolecular Crystallography Community, NE-CAT hosted a workshop on Advances in Low to Moderate Resolution Phasing and Refinement in September. We have compiled abstracts, powerpoint presentations, video, and audio of the event at our website. If you were unable to attend, but have interest in this area of x-ray crystallography, please visit our website at: http://necat.chem.cornell.edu/workshops/lowresolutionworkshop.php Best, Kay -- Kay Perry NE-CAT 9700 S. Cass Ave. Bldg. 436 E007 Argonne, IL 60439 630-252-0692
Re: [ccp4bb] Software for showing crystal packing
On Dec 3, 2011, at 4:00 PM, Yuri Pompeu wrote: Hello everyone, Whats a good software for showing crystal packing and unit cell, axes , etc... I know pymol and coot will do it but would love to hear other possibilities/ideas. Chimera's Unit Cell tool can do this. http://www.cgl.ucsf.edu/chimera/docs/ContributedSoftware/unitcell/unitcell.html --Eric Eric Pettersen UCSF Computer Graphics Lab http://www.cgl.ucsf.edu
[ccp4bb] weird HKL2000 behavior
Hi everybody We have a weird problem with HKL2000 during indexing and refinement. We load the images and pick spots fine then we click on indexing and after we select P1 we observed that there is no statistical values on the refinement table, no numbers for cell unit or for chi2 values, I mean the whole thing is blank. Also the peak selection on the image viewer disappears. If we change the beam center from the initial correct one to something that it is obviously off, then we get numbers and values on the refinement table and we get circles for the spots on the image but the whole thing is completely wrong. When we change back to the correct beam center then we get again no numbers on the refinement table and no circles on spots. We are thinking that there might be a bug somewhere and we just wanted to know if any of you have experience something similar before and how you fix it. Thank you Teresa and Li-Kai Teresa De la Mora-Rey Ph.D. Dept. Medicinal Chemistry University of Minnesota 8-101 Weaver-Densford Hall 308 Harvard St. SE, Minneapolis, MN 55455 Lab phone (612) 626-5226 If you never did you should. These things are fun and fun is good Dr. Seuss
[ccp4bb] ccp4 on Win7 'clipper::Message_fatal'
Dear Developers, I was trying to get ccp4 up and running on a Windows7 pc, and even though the installation proceeds smoothly, I cant get any task to finish succesfully. Below is what the log file has to say about it. I saw someone having trouble with the windows install as well. I have the installation packaged posted by Marcin installed. Thanks for any help * Information from CCP4Interface script *** The program run with command: ctruncate -hklin C:/Ccp4Temp/oye1_77-73_3_1_mtz.tmp -hklout C:/Ccp4Temp/oye1_77-73_3_3_mtz.tmp -colin /*/*/\[IMEAN,SIGIMEAN\] -colano /*/*/\[I(+),SIGI(+),I(-),SIGI(-)\] -colout yap-ii-77-73 -nres 400 has failed with error message CCP4MTZfile - internal error This application has requested the Runtime to terminate it in an unusual way. Please contact the application's support team for more information. terminate called after throwing an instance of 'clipper::Message_fatal' *** #CCP4I TERMINATION STATUS 0 CCP4MTZfile - internal error This application has requested the Runtime to terminate it in an unusual way. Please contact the application's support team for more information. terminate called after throwing an instance of 'clipper::Message_fatal' #CCP4I TERMINATION TIME 05 Dec 2011 20:19:00 #CCP4I MESSAGE Task failed
[ccp4bb] postdoctoral position at Princeton University
A postdoctoral position is available in the laboratory of Prof. Alexei Korennykh. My group focuses on structural biology and mechanisms of receptor signaling in stress and immune responses. Interested candidates may email CV, three reference contacts and cover letter to akore...@princeton.edu. Ph.D. degree is required. Experience with structural work, mechanisms and human cell lines will be a plus.
