[ccp4bb] postdoc position available

2019-06-03 Thread Chang, Changsoo
Argonne National Laboratory seeks a postdoctoral researcher to join the Structural Biology Center (SBC) at the Advanced Photon Source (APS) to develop methods in crystallography and other techniques. Building on our expertise in high resolution de novo structure determination, serial

Re: [ccp4bb] Does ncs bias R-free? And if so, can it be avoided by special selection of the free set?

2019-06-03 Thread Edward A. Berry
On 05/19/2019 08:21 AM, Ian Tickle wrote: ~~~ So there you have it: what matters is that the _errors_ in the NCS-related amplitudes are uncorrelated, or at least no more correlated than the errors in the non-NCS-related amplitudes, NOT the amplitudes themselves. Thanks, Ian! I would like to

Re: [ccp4bb] tNCS incompatible with cell dimensions

2019-06-03 Thread Kevin Jude
Thanks everybody for your replies. I am having another look at my data in P1 and will post an update and summary to the list. -- Kevin Jude, PhD Structural Biology Research Specialist, Garcia Lab Howard Hughes Medical Institute Stanford University School of Medicine Beckman B177, 279 Campus

Re: [ccp4bb] 40th CCP4 anniversary competition - 10 Golden Tickets deadline 18th June!

2019-06-03 Thread Andreas Förster
Would it be fair to call it CCP40 now? Andreas On Mon, Jun 3, 2019 at 4:37 PM Paula Salgado wrote: > > > This year, CCP4 turns 40 and is celebrating in style with an event in > London. CCP4 has a strong focus on training the new generation of > crystallographers and developers so, as part

Re: [ccp4bb] Does ncs bias R-free? And if so, can it be avoided by special selection of the free set?

2019-06-03 Thread dusan turk
Dear Jonathan, Here is some additional explanation on the NCS dependent and NCS independent R-free issues. I think that we all agree that redundancy is related to the accuracy of a measurement. The higher redundancy a data set has, the more accurate its average value is. In crystallography,

[ccp4bb] Postdoc Opening - Multi-Dataset Crystallography and Allostery - Keedy Lab, New York City

2019-06-03 Thread Daniel Keedy
The Daniel Keedy Lab at the CUNY Advanced Science Research Center in New York City has an available position for a Postdoctoral Researcher starting immediately. The Keedy Lab aims to elucidate the conformational ensembles of proteins and to understand how they are shifted by perturbations,

[ccp4bb] On behalf Abbas Ourmazd: Machine-learning Opportunities

2019-06-03 Thread Schertler Gebhard (PSI)
Abbas Ourmazed has developed interesting data analysis approaches to XFEL and Cryo-EM data they apply simmilar strategies to other typs of data. Machine-learning Opportunities at the University of Wisconsin Milwaukee The Data Science/Machine Learning group in the Department of Physics plans

Re: [ccp4bb] PyMOL now packaged as a snap on Linux

2019-06-03 Thread Pedro Matias
Well, I can't get it to work in FC30 - I installed FC30 on a virtual machine and managed to install both snapd and pymol-oss but pymol does not run as a command. Am I missing something rather obvious? Pedro Às 12:46 de 03/06/2019, Matic Kisovec escreveu: > Hi, > > thank you very much for this.

[ccp4bb] Fwd: [ccp4bb] AKTA FPLC fractionation peak by peak

2019-06-03 Thread Sorin Draga
Thank you both for your answers! *Upasana* - the chromatogram was randomly selected to ilustrate the point - we do a careful equilibration of the column and degas the mobile phase(s) before starting. I'm not really sure what you mean by oligomeric state of the protein - we are working with

Re: [ccp4bb] PyMOL now packaged as a snap on Linux

2019-06-03 Thread Matic Kisovec
Hi, thank you very much for this. Work fine on Ubuntu 19.04. Kind regrds, Matic On 17. 05. 19 20:04, Arunabh Athreya wrote: Thanks for sharing this. Get Outlook for Android From: CCP4 bulletin board on

Re: [ccp4bb] Does ncs bias R-free? And if so, can it be avoided by special selection of the free set?

2019-06-03 Thread Ian Tickle
Eleanor, what exactly is the mechanism whereby NCS leads to correlation of measurement errors, and thereby could cause cross-validation bias? As you know, the aim of cross-validation is to guard against overfitting, where as a consequence over-parameterisation some or all of the structural

[ccp4bb] AW: [EXTERNAL] [ccp4bb] tNCS incompatible with cell dimensions

2019-06-03 Thread Herman . Schreuder
Dear Kevin, It could also be that you have a particular nasty combination of tNCS and twinning. Given your packing problems in the ab plane, this would mean that your 2-fold parallel to c is generated by twinning and that probably one of the 21 axes is generated by twinning as well. With some

[ccp4bb] Fwd: Domainex is hiring a Structural Biologist

2019-06-03 Thread Mark Roe
Posted on behalf of Domainex. Begin forwarded message: From: Stefanie Reich mailto:s.re...@domainex.co.uk>> Date: 31. May 2019 at 17:04:20 CEST To: "ccp4bb@jiscmail.ac.uk" mailto:ccp4bb@jiscmail.ac.uk>> Subject: Domainex is hiring a Structural Biologist

Re: [ccp4bb] AKTA FPLC fractionation peak by peak

2019-06-03 Thread Barone, Matthias
Hi sorin The problem in your elution profile is that you cannot define a global threshold as the baseline is heavily bent (relative to the peak heights) and starting to fractionate at 6' is not the problem, telling the script to stop once you reach baseline at 13' is. I would try what you

[ccp4bb] AKTA FPLC fractionation peak by peak

2019-06-03 Thread Sorin Draga
Dear all, We have an old akta system, running Unicorn 4.0, recently donated to our lab. While attempting to fractionate a protein mixture, I was unable to convince Unicorn to fractionate within given limits (say, for ex peak A between RT a and b and peak B between retention times c and d). All