Re: [ccp4bb] Long term storage for raw images/ crystallographic data sets

2018-11-29 Thread Kay Diederichs
Wladek Minor runs proteindiffraction.org . This also has E.g. JCSG data sets. BR, Kay On Thu, 29 Nov 2018 23:35:55 +, Diana Tomchick wrote: >I hope you are compressing your images, typically that makes them 1/4 the >original size. > >SBGrid and Wladek Minor also have image archival

Re: [ccp4bb] Long term storage for raw images/ crystallographic data sets

2018-11-29 Thread Tim Grüne
Hi Jacob, The idea of a scientific service being restricted by nationality is so strange to me that this possibility for misunderstanding did not occur to me. Best, Tim On November 29, 2018 10:24:49 PM GMT+01:00, "Keller, Jacob" wrote: >I saw explicitly that it is not limited to EU. > >JPK >

Re: [ccp4bb] Long term storage for raw images/ crystallographic data sets

2018-11-29 Thread Tim Grüne
Hi Graeme, I meant to say that the zenodo server sits in Europe, and the sbgrif server in the us. It was not meant to indicate any restrictions. Best, Tim On November 29, 2018 10:21:36 PM GMT+01:00, "graeme.win...@diamond.ac.uk" wrote: >Dear Tim, > >I do not think Zenodo is limited to

Re: [ccp4bb] Long term storage for raw images/ crystallographic data sets

2018-11-29 Thread Diana Tomchick
I hope you are compressing your images, typically that makes them 1/4 the original size. SBGrid and Wladek Minor also have image archival services. As I am replying from my cell phone while on vacation, the links to those services are not handy to me. But they have been mentioned many times on

[ccp4bb] Integrative Structural Biology Cluster (ISBUC) Coordinator

2018-11-29 Thread Guillermo Montoya
Dear All, for those that like to work in a very multidisciplinary environment involving research and industry, please have a look at this opening https://employment.ku.dk/staff/?show=148511 as scientific coordinator in ISBUC https://isbuc.ku.dk/ best regards G. Guillermo Montoya,

Re: [ccp4bb] Long term storage for raw images/ crystallographic data sets

2018-11-29 Thread Keller, Jacob
I saw explicitly that it is not limited to EU. JPK + Jacob Pearson Keller Research Scientist / Looger Lab HHMI Janelia Research Campus 19700 Helix Dr, Ashburn, VA 20147 Desk: (571)209-4000 x3159 Cell: (301)592-7004

Re: [ccp4bb] Long term storage for raw images/ crystallographic data sets

2018-11-29 Thread graeme.win...@diamond.ac.uk
Dear Tim, I do not think Zenodo is limited to Europeans - at least I could not find this on their policy page: http://about.zenodo.org/policies/ I know of plenty of uploads from Japan for example Best wishes Graeme On 29 Nov 2018, at 21:16, Tim Gruene mailto:tim.gru...@psi.ch>> wrote: Dear

Re: [ccp4bb] Long term storage for raw images/ crystallographic data sets

2018-11-29 Thread Tim Gruene
Dear Raquel, when they are associated with a publication, you can publish them on data.sbgrid.org in the US or at zenodo.org in Europe. Best regards, Tim On Thursday, November 29, 2018 9:54:02 PM CET Lieberman, Raquel L wrote: > Dear All, > > How do your labs handle long-term raw data

Re: [ccp4bb] Long term storage for raw images/ crystallographic data sets

2018-11-29 Thread graeme.win...@diamond.ac.uk
Dear Raquel, For published structures you can publish the raw data, which means that somebody else is looking after it - for this I would say that the current front runner is Zenodo - https://zenodo.org/ - which is paid for by CERN / EU etc. so someone else is (currently) picking up the tab.

[ccp4bb] Long term storage for raw images/ crystallographic data sets

2018-11-29 Thread Lieberman, Raquel L
Dear All, How do your labs handle long-term raw data backups? My lab is maxing out our 6TB RAID backup (with two off-site mirrors) so I am investigating our next long term solution. The vast majority of the data sets are published structures (i.e. processed data deposited in PDB) or

Re: [ccp4bb] Twinning in C 2 2 21

2018-11-29 Thread Eleanor Dodson
It is very common for a trigonal spacegroup H 32 to masquerade as C 2 2 21 Here is the log file for other cell. Note that it is possible to reindex it with two cell dimensions equal and a beta angle of 63 - And the self rpotation shows a large rotation at 120 degrees So go back to the data

Re: [ccp4bb] Twinning in C 2 2 21

2018-11-29 Thread Ditlev Egeskov Brodersen
Unit cell dimensions don’t really matter here. If it’s a centred lattice you won’t be able to index it correctly in a primitive system even though C222 and P222 both have a<>b<>c and alpha=beta=gamma=90. Ditlev --- Ditlev E. Brodersen Lektor, Associate Professor Department of Molecular

Re: [ccp4bb] Twinning in C 2 2 21

2018-11-29 Thread Damodharan Lakshminarasimhan
Hi Vijyay, Did you tried with P212121 system?. RCSB has one structure with similar unitcell and the corresponding pdb code is 3BMA. If you have not tried then I hope it will solve the problem. Thanks damo On Thu, Nov 29, 2018 at 11:44 AM Vijay Jayaraman < bkvijay.jayara...@gmail.com> wrote: >

Re: [ccp4bb] Twinning in C 2 2 21

2018-11-29 Thread Kay Diederichs
Hi Vijay, it could be pseudo-merohedral twinning of C2. In that case, any of the three axes could be the unique one, so you must test all three possible settings. Hopefully, reginement works well in one of these. Best wishes, Kay On Thu, 29 Nov 2018 14:58:52 +, Vijay Jayaraman wrote:

[ccp4bb] Twinning in C 2 2 21

2018-11-29 Thread Vijay Jayaraman
Hi all, The data that we collected recently is in space group C 2 2 21 and appears to be twinned. I could not find a twin law which I can use to detwin the data. The R and R free doesn't drop below 0.4 even after multiple rounds of manual and automated refinement. I have also attached the

[ccp4bb] Postdoctoral position University of Oxford (UK)

2018-11-29 Thread Denis Ptchelkine
Title: Postdoctoral position University of Oxford (UK) Message: We are looking for highly motivated and talented Postdoctoral Scientist to join the research group of Professor Catherine Porcher (WIMM, University of Oxford, UK) to characterise and solve the structure of a multiprotein

[ccp4bb] Paired refinement in PDB-REDO

2018-11-29 Thread Robbie Joosten
Dear CCP4BB-ers, A recent discussion on the CPP4BB made it clear that people want an easy way to run paired refinement on their data. This option has always been available in the PDB-REDO webserver (https://pdb-redo.eu), but it was (un)cleverly hidden in automation (see

[ccp4bb] Job Offer: Group Leader in Structural Biology or Biochemistry

2018-11-29 Thread Fan Jiang
Dear colleagues, Viva Biotech, located in Shanghai, China, is specialized in structure-based drug discovery providing preclinical drug discovery research services to global pharmaceutical and biotech companies. We have opening for program leader in structural biology and biochemistry. Anyone