[ccp4bb] Job Posting: EM Software Programmer

2011-10-05 Thread meindert lamers
Dear all, Please see the job advert for an EM programmer below. All responses/inquires to: sche...@mrc-lmb.cam.ac.uk --- At the MRC Laboratory of Molecular Biology in Cambridge we are looking to recruit a permanent Programmer to be respons

Re: [ccp4bb] not so good news (Steve Jobs RIP)

2011-10-05 Thread Ashley Buckle
Bill So eloquently put, much of what you say resonates with me. Very sad day. Cheers Ashley Sent from my iPhone On 06/10/2011, at 3:13 PM, "William G. Scott" wrote: > On Oct 5, 2011, at 5:52 PM, Bosch, Juergen wrote: > >> http://www.apple.com/stevejobs/ >> >> May innovation continue to lead t

Re: [ccp4bb] not so good news (Steve Jobs RIP)

2011-10-05 Thread William G. Scott
On Oct 5, 2011, at 5:52 PM, Bosch, Juergen wrote: > http://www.apple.com/stevejobs/ > > May innovation continue to lead the future. > > Jürgen I've been quite saddened about this all evening. Even though we knew it was coming, it is still incredibly sad, especially at his age (only 56). Alth

[ccp4bb] not so good news

2011-10-05 Thread Bosch, Juergen
http://www.apple.com/stevejobs/ May innovation continue to lead the future. Jürgen .. Jürgen Bosch Johns Hopkins University Bloomberg School of Public Health Department of Biochemistry & Molecular Biology Johns Hopkins Malaria Research Institute 615 North Wolfe Street, W8708

Re: [ccp4bb] Vivaspin vs Amicon Ultra

2011-10-05 Thread Ho Leung Ng
Hello Jan, I've used both with soluble and membrane proteins happily. I haven't seen significant differences with protein behavior or performance in one or the other, but of course, your favorite protein may differ. I've found that buffer condition is a more important variable than membrane t

Re: [ccp4bb] Database access failure during program execution

2011-10-05 Thread Jon Schuermann
If I'm not mistaken it is caused by /tmp/'username' not existing or being writable... Jon -- Jonathan P. Schuermann, Ph. D. Beamline Scientist NE-CAT, Building 436E Advanced Photon Source (APS) Argonne National Laboratory 9700 South Cass Avenue Argonne, IL 60439 email: schue...@anl.gov Tel: (6

[ccp4bb] Industry position job posting

2011-10-05 Thread plario
Hi All, The protein engineering department at Zymeworks Inc. (www.zymeworks.com), is actively searching for talented structural biologists who are interested in doing in silco protein engineering. If interested please visit [http://zymeworks.com/careers/postings.html] Cheers, Paula Lario

Re: [ccp4bb] Parrot NCS averaging

2011-10-05 Thread Kevin Cowtan
On 10/05/2011 03:42 PM, Peter Canning wrote: When I run Parrot to do density improvement and NCS averaging, Parrot works beautifully (final FOM is 0.87) but NCS averaging causes the average NCS correlation coefficient to drop (from 0.94 to 0.64) and the average mask volume to increase from 0.31 t

Re: [ccp4bb] Parrot NCS averaging

2011-10-05 Thread Savvas Savvides
Dear Herman In some cases density modification starting with MR phases can indeed prove very powerful. We recently used Parrot to bootstrap a difficult case at 4.3 angs and were able to obtain very good maps for entire missing domains. See Supplementary Fig 1 in:Verstraete et al 2011 BLOOD 118:

Re: [ccp4bb] Parrot NCS averaging

2011-10-05 Thread Herman . Schreuder
Dear CCP4'ers, I do have a similar case with 8 molecules in the asymmetric unit, related by improper symmetry and the structure is solved by molecular replacement. I do have 2 questions: 1) Does it make sense to average to improve phases? The molecular replacement phases perfectly obey the non-

[ccp4bb] Parrot NCS averaging

2011-10-05 Thread Peter Canning
Dear CCP4'ers, I am working on refining the structure of a protein complex consisting of two different chains. Data were collected to 2.3A in space group C2 and phased by molecular replacement without any problem, but the ASU contains 6 complexes (so 12 chains in total). In the ASU, the 6 compl

Re: [ccp4bb] Database access failure during program execution

2011-10-05 Thread Ed Pozharski
On Wed, 2011-10-05 at 10:36 +0800, Jobichen Chacko wrote: > I looked into our previous posts and tried to locate the ccp4.LOCK > file, but I cannot find one in my system. Curiously, neither can I with the ccp4i currently running. Maybe this info is outdated, and you should try deleting "database

Re: [ccp4bb] Overlapmap

2011-10-05 Thread Ian Tickle
Adam, sorry I don't use overlapmap, for the reasons you mention (and many others!). In fact I decided it was in such a mess that it was irrecoverable & so I wrote my own program EDSTATS to do all all these electron density stats (and more). I talked about it at the last CSW ( http://www.cse.scite

Re: [ccp4bb] software for surface curvature

2011-10-05 Thread Ed Pozharski
On Tue, 2011-10-04 at 15:25 -0700, Jun Liao wrote: > I want to calculate the surface curvature for my proteins in a > quantitative way and show the results in a graphics software such as > Pymol Surface Racer http://apps.phar.umich.edu/tsodikovlab/index_files/Page756.htm will output curvature p

Re: [ccp4bb] Vivaspin vs Amicon Ultra

2011-10-05 Thread Roger Rowlett
The vivaspins are the best thing in ultrafiltration since sliced bread. I learned about them while I was at the NIH several years ago and haven't looked back. Fast and low-binding. PES membranes are superior for minimizing protein binding, and are also less subjec

Re: [ccp4bb] Vivaspin vs Amicon Ultra

2011-10-05 Thread Peter Gutte
Hi Jan, In our lab we use both the Amicon Ultras and the Vivaspins (soluble and membrane proteins). What I can tell you is that me and a few other colleagues had the experience (and still do) of specific soluble proteins precipitating on the Cellulose membrane of the Amicon. By switching to

Re: [ccp4bb] Vivaspin vs Amicon Ultra

2011-10-05 Thread Florian Brückner
Hi Jan I have used Vivaspins for membrane proteins and they generally work fine. The exact pore size might be different though between Vivaspin and Amicon with the same specifications, say e.g. 100,000 MWCO. So you might find that your protein is retained in one of them, while it is in the flow

Re: [ccp4bb] Overlapmap

2011-10-05 Thread Ian Tickle
On Wed, Oct 5, 2011 at 11:03 AM, Adam Ralph wrote: > Hi Brigitte, >You are correct, the columns labeled Fobs and Fcal refer to density. The > columns should be: averaged density for Obs and Cal for the main chain, then > averaged density Obs and Cal for the side chains. I have included a vers

[ccp4bb] Opportunities in Newcastle

2011-10-05 Thread Martin Noble
Dear bbers, Incase the (extremely attractive) lectureship advertised by Rick is a little rich for your blood, I'd like to draw your attention to postdoctoral positions available in the Endicott and Noble groups, currently being established in the Northern Institute for Cancer Research in the Me

Re: [ccp4bb] Overlapmap

2011-10-05 Thread Adam Ralph
Hi Brigitte,   You are correct, the columns labeled Fobs and Fcal refer to density. The columns should be: averaged density for Obs and Cal for the main chain, then averaged density Obs and Cal for the side chains. I have included a version of overlapmap that calculates the R-factor correctly and h

Re: [ccp4bb] Vivaspin vs Amicon Ultra

2011-10-05 Thread David Briggs
Hi Jan, I've used both, and I've used them on membrane binding proteins, extracellular matrix proteins and intracellular proteins. I know of some cases where protein loss is very severe, but that varies on a case-by-case basis. A general observation is that proteins with which losses are bad, are

[ccp4bb] Lectureship in crystallography at the University of Newcastle

2011-10-05 Thread Richard Lewis
dear BBers an opportunity has arisen in newcastle for a lecturer in macromolecular crystallography. the postholder would either share lab space with my group, or occupy space in the lab next door that we have spread into recently. to see what things we have been up to, have a look here: http:sb

[ccp4bb] Vivaspin vs Amicon Ultra

2011-10-05 Thread Jan Gebauer
Dear all, sorry, for the slightly off-topic theme, but I wonder if anyone has compared the above mentioned ultracentrifugation devices, thoroughly. Currently, we are using the Amicon Ultra, but as the Vivaspins are considerably cheaper we are considering to change. I used both with extracellula