[ccp4bb] Postdoctoral Position - Ohio State University

Dear All, Applications are invited for a joint postdoctoral scientist position in the laboratories of Dr. Sarah Heissler and Dr. Krishna Chinthalapudi at the Ohio State University. The research project focuses on understanding the role of myosin motors and other cytoskeletal proteins in health a

Re: [ccp4bb] Improved support for extended PDBx/mmCIF structure factor files

Hi Marcin, Thanks for your inputs. I wonder why the PDB doesn’t allow to submit two separate mtz files, one from data processing and one from refinement with map coefficients. It would be very straightforward for depositions. I guess there must be a valid reason for not allowing that. BW, D

Re: [ccp4bb] Updating Ubuntu 18 LTS to 20?

Hi Domen, I have been running 20.04 for quite some time now without any issues. In my experience, performing in-place upgrades from a previous version (eg: 14.04 to 16.04, 16.04 to 18.04) caused some issues and I usually ended up having to wipe the system and perform fresh installs, but your mile

[ccp4bb] Updating Ubuntu 18 LTS to 20?

Hi all, has anyone updated the Ubuntu 18.04 LTS Bionic Beaver to the never 20.04? That means with programs we usually have installed (java, phython, xds, ccp4 & coot, phenix, R, data warrior, pymol, nomacine, etc)? Any troubles, recommendations? 22 LTS is coming out this year, I'm not sure if jump

Re: [ccp4bb] Improved support for extended PDBx/mmCIF structure factor files

Then I'm afraid you'd need to first use CAD to combine both mtz files (merged intensities and map coefficients) into one merged mtz file. Or perhaps there is a better way - I don't know. Perhaps ccp4i2 and Ccp4 Cloud can combine MTZ files. I'll think about supporting multiple merged MTZs in mxdepo

Re: [ccp4bb] Improved support for extended PDBx/mmCIF structure factor files

Hi Marcin, This is very helpful, thanks a lot. Ezra and Jasmine from wwPDB have also replied just to me that they will send me a work around asap; if it will differ from your method I will post it. Can I please also ask you would be the best way to proceed if I would like to combine, as well

Re: [ccp4bb] Improved support for extended PDBx/mmCIF structure factor files

Dear Dom, you can upload only a single data file to OneDep. Currently, if you want to deposit unmerged data with extensions introduced in 2021 (importantly, these extensions include image numbers and rotation angles) and if the software that you use doesn't output such ready-to-use files, you need

[ccp4bb] Postdoctoral research positions in structural biology

HEADS UP (there will be an official announcement soon) We are looking for two postdoctoral researchers to join an exciting structure-based drug design project funded by the Bill&Melinda Gates foundation to develop inhibitors of a Plasmodium nuclease involved in DNA replication. One post requires

Re: [ccp4bb] EMBO Practical Course on Characterization of macromolecular complexes by integrative structural biology

Dear all a kind reminder about this course application deadline, which is approaching now in 2 weeks. Regards Marco On 19/12/2021 16:11, Marco MARCIA wrote: Dear all, please take note of the EMBO course announced below and do not miss its application deadline (Jan 31st)! Kind regards, Marc

Re: [ccp4bb] Validation of structure prediction

Hi, James, hi, everybody, somehow relevant to your, James, comments : >>> MPscore=0.426∗ln(1+clashscore)+0.33∗ln(1+max(0,rota_out−1))+0.25∗ln(1+max(0,rama_iffy−2))+0.5 >>> >>> I.E. What if we could train an AI to predict Rfree by looking at the >>> coordinates? if somebody missed, there is

[ccp4bb] Staff Scientist opportunity in "Structural Proteomics" at Human Technopole in Milan, Italy

Dear all, the newly established Human Technopole Institute, based in Milan, Italy (http://www.humantechnopole.it/en/ ) is looking for a Staff Scientist to manage the Structural Proteomics Facility. We are looking for persons with proven track record in high-reso