Re: [ccp4bb] New restraints, same name

2012-01-25 Thread Ingo P. Korndoerfer
... and why don't we move on from pdb format to something a bit more modern ? i think it would only require a handful of programmers to agree on this and the rest would (have to) follow. i.e. if coot and refmac could both read and write something more modern we'd have a huge part of ccp4 world

Re: [ccp4bb] New restraints, same name

2012-01-25 Thread Garib N Murshudov
That is the plan and hopefully with help of people from pdb coot, buster, phenix, refmac, ccp4 programs will all use mmcif with ligand descriptions inside. Good will is there, a little bit work is needed. Regards Garib On 25 Jan 2012, at 08:15, Ingo P. Korndoerfer wrote: ... and why don't

Re: [ccp4bb] Problem with getting Rfree and Rf down

2012-01-25 Thread Miguel Ortiz Lombardía
Le 24/01/12 21:18, Dale Tronrud a écrit : On 01/24/12 11:52, Miguel Ortiz Lombardia wrote: El 24/01/12 18:56, Greg Costakes escribió: Whoops, I misspoke... I meant Rsym and Rmerge increase with higher redundancies. But then suppose that one merges data from a crystal that is degrading

Re: [ccp4bb] quasispecies

2012-01-25 Thread Saul Hazledine
On Jan 24, 2012, at 10:31 PM, Bart Hazes wrote: For some RNA viruses the rate of mutation is so high that they basically sample a flat region of the fitness-landscape. If you could take two individual viruses out of this sample to establish two independent infections than over time each

[ccp4bb] Introducing an ELN

2012-01-25 Thread Chris Morris
Tassos reports: 1. None of the twenty test-users was satisfied with any of the two solutions - and each was annoyed for a different reason. This suggests that the choice of ELN is not the most difficult part of the adoption process. Maybe the test users at the NKI were annoyed by the idea of

[ccp4bb] Postdoctoral position in Oxford Biochemistry

2012-01-25 Thread John Vakonakis
Dear all, A postdoctoral position is available in Oxford Biochemistry for combined crystallographic and NMR studies of centriolar proteins. The advert is below and applications can be made online until Feb. 20th. Regards, John Vakonakis -- Dr. Ioannis (John) Vakonakis Wellcome Trust

[ccp4bb] Fwd: [ccp4bb] quasispecies

2012-01-25 Thread Carter, Charlie
Begin forwarded message: Date: January 24, 2012 7:16:42 PM EST To: Bart Hazes bha...@ualberta.camailto:bha...@ualberta.ca Subject: Re: [ccp4bb] quasispecies This remark brings to mind a paper published recently by Ariel Fernandez and Mike Lynch: Nature 474:502, 2011: Non-adaptive Origins of

Re: [ccp4bb] writing scripts-off topic

2012-01-25 Thread Mark Brooks
Hi Yuri, If you don't like Python, like myself (and I'm not alone, it would seem), you could try Ruby (http://www.ruby-lang.org/en/). Some examples of PDB file manipulation are below (taken from [1]). The language is a great improvement in Perl and Python in my opinion, but the downside

[ccp4bb] Beamline Scientist position in SAXS@EMBL Hamburg

2012-01-25 Thread Margret Fischer
Dear all, A beamline scientist position is available at the EMBL Hamburg Unit in Small Angle Scattering in the research group of Dr. Dmitri Svergun. I attach the Vacancy Notice below. Deadline for application is 4th March 2012. Applications should be directed to:www.embl.org/jobs regards

Re: [ccp4bb] writing scripts-off topic

2012-01-25 Thread Miguel Ortiz Lombardía
Hi Yuri, To add something nobody else has mentioned yet. If you are interested in statistics and analysis you may find interesting the R package. There is an excelent module, called Bio3D for the analysis of protein structure and sequence data. Have a look here:

Re: [ccp4bb] Expression of Viral proteins for crystallography

2012-01-25 Thread Rubén Sánchez Eugenia
Dear Gregory and Darren, Thank you for your answers. They have been very useful. 2012/1/24 Gregory Verdon gregory...@gmail.com it possible that the protein is toxic (even when slightly expressed from your possibly leaky pET vector), so that e.coli select for mutations that kill expression of

[ccp4bb] BioSAXS Essentials III Workshop

2012-01-25 Thread David Schuller
MacCHESS is pleased to announce that the BioSAXS Essentials III Workshop will once again be offered at Cornell University. *BioSAXS Essentials III: Getting Started in Biological Small-Angle X-ray Solution Scattering* * *Date:*February 24-26, 2012

[ccp4bb] British Crystallographic Association

2012-01-25 Thread Elspeth Garman
Dear Crystallographer Following my pitch on behalf of the British Crystallographic Association (BCA) at the 2012 CCP4 Study Weekend in Warwick, I wanted to encourage any interested macromolecular crystallographers to become members of the Association. The UK will host the European

Re: [ccp4bb] Expression of Viral proteins for crystallography

2012-01-25 Thread Chun Luo
Toxicity of target proteins in pET vectors can manifest itself without DE3. Some people suggest E. coli polymerases causes low level of expression. The observed mutation rate is thousands of fold higher than what the textbooks say. It’s easy to tell toxicity from other causes of heterogeneity.

Re: [ccp4bb] Expression of Viral proteins for crystallography

2012-01-25 Thread Phoebe Rice
We've seen nice in vivo activity (on purpose) from proteins cloned under T7 promoters but transformed into non-DE3 cells. In fact, friends working with more zesty enzymes who wanted a more tunable in vivo assay have had to mutate the ribosome binding sites for proteins under T7 promotors to

[ccp4bb] Position available: Research Technician, High Throughput Crystallisation

2012-01-25 Thread Jose A. Marquez
Dear All, A Research Technician position is available at the High Throughput Crystallisation laboratory of the EMBL Grenoble Outstation. You will find the details in the link below. http://www.embl.de/aboutus/jobs/searchjobs/index.php?newlang=1newms=srsearchregion=670