[ccp4bb] Vacancy for an EMDB Coordinator at EMBL-EBI

2021-01-19 Thread Gerard Kleywegt
Are you an experienced electron microscopist who is passionate about cryo-EM and cryo-ET? Would you like to influence the way the world archives its EM data, including annotation, validation, dissemination, visualisation, etc.? Are you enthusiastic about engaging with the global EM community?

Re: [ccp4bb] Pymol Map range

2021-05-06 Thread Gerard Kleywegt
Hi all, By popular demand (yeah, me too) the HTML versions of the old USF manuals have been kindly added to the GitHub site (link below) by Martyn Winn. Also, the machine in Uppsala that used to serve them has finally given up the ghost so GitHub is now the only source of USF source code and

[ccp4bb] Changes to the EMDB and EMPIAR URLs and the EMDB website

2021-07-21 Thread Gerard Kleywegt
Dear colleagues, We are writing to you about some changes to the EMDB and EMPIAR URLs and the EMDB website. As of today, EMDB and EMPIAR have their own EMBL-EBI top-level URL at https://www.ebi.ac.uk/emdb and https://www.ebi.ac.uk/empiar, respectively. We will continue to operate the old

[ccp4bb] AlphaFold DB - free and open access to (millions of) protein structure predictions

2021-07-22 Thread Gerard Kleywegt
Dear colleagues and friends, I would like to share some exciting news that has been announced today. EMBL-EBI and DeepMind have co-developed the AlphaFold Protein Structure Database (AlphaFold DB; https://alphafold.ebi.ac.uk), a joint project to openly and freely share millions of AlphaFold

[ccp4bb] Vacancy for EMDB Team Leader (EMBL Faculty position)

2022-07-18 Thread Gerard Kleywegt
place on Thursday 20 October. Please feel free to bring this position to the attention of anyone with the right skillset who might be interested. Best wishes, Gerard Kleywegt --- Gerard J. Kleywegt, EMBL-EBI, Hinxton, UK Head of Molecular and Cellular Structure ger...@ebi.ac.uk pdbe.org emdb

[ccp4bb] Yes, there are now 214 *million* structures in the AlphaFold Protein Structure Database

2022-07-28 Thread Gerard Kleywegt
Hi all, I thought Sameer was burying the lead a tad in his message... :-) So, for those of you who -like me- are not on social media: ==> As of today, the AlphaFold Protein Structure Database contains 214 million models predicted with AlphaFold, covering almost all of UniProt. <== So, if

[ccp4bb] Vacancy for a Scientific Programmer at EMDB (EMBL-EBI, Cambridge, UK)

2022-09-14 Thread Gerard Kleywegt
The application period for this post will close on 23 October 2022 and (virtual) interviews will take place on 17 or 18 November. Please feel free to bring this position to the attention of anyone with the right skillset who might be interested. Best wishes, Gerard Kleywegt --- Gerard J. Kleywegt, EMBL-EBI

Re: [ccp4bb] ChEBI and SMILES

2022-10-07 Thread Gerard Kleywegt
Hi Harry, On the ChEBI website, if I type a simple SMILES string into the search box (c1c1) it takes me to the corresponding entity page. I don't know if they have an API that supports this but I'm sure the friendly folks of the ChEBI helpdesk

[ccp4bb] Who will captain the good ship EMDB?

2023-01-11 Thread Gerard Kleywegt
. The vacancy will close on 23 February 2023 and (virtual) interviews will take place on Monday 13 March 2023. Please feel free to bring this position to the attention of anyone with the right skillset who might be interested. Best wishes, Gerard Kleywegt & Ardan Patwardhan --- Gera

Re: [ccp4bb] Future Diffraction Methods

2023-01-30 Thread Gerard Kleywegt
Hi all, I'm a big believer in cross-pollination between disciplines. I think there could be room for a multidisciplinary methods meeting (MMM) provided the right topics are chosen. If these are things that concern NMR-ists, X-ray-ans and cryo-EM-ers equally you might get the right mix of

Re: [ccp4bb] new PDB file format

2023-04-03 Thread Gerard Kleywegt
Hi Robbie, Well, there is 1SRX (https://pdbe.org/1srx)) from 1976, CA-only, coordinate precision 0.05Å. The explanation is in the paper: "The maps were interpreted in terms of the known amino-acid sequence (2) and a skeletal model of one molecule was built with the Kendrew-type models using