Re: [ccp4bb] AW: [ccp4bb] Pandda problems

2018-05-25 Thread Pearce, N.M. (Nick)
I agree completely for error messages regarding errors that the user can fix. However that is not the case with this error, which was an “unexpected” error — perhaps I will add a “contact developer” message to those errors to make this clear. Thanks, Nick On 25 May 2018, at 16:22, "herman.sch

[ccp4bb] AW: [ccp4bb] Pandda problems

2018-05-25 Thread Herman . Schreuder
Dear Nick, Thank you for your reply. I am looking forward to test a new Pandda version that is hopefully compatible with the latest CCP4 version. Concerning the error messages: I think they are very useful for developers, to trace back in the code what had happened, but not for users, who need

Re: [ccp4bb] Pandda problems

2018-05-25 Thread Pearce, N.M. (Nick)
Hi, Yes, that’s not a very useful error message — sorry. I am still in the process of intermittently rewriting the pandda code to be …better. I don’t think you’ve necessarily done anything wrong — pandda has not been extensively tested on running on series of structures that are not identical

[ccp4bb] Pandda problems

2018-05-25 Thread Herman . Schreuder
Dear bulletin board, I am trying to run Pandda on a set of about 50 data sets. I asked our system manager to roll back to CCP4 update 047 and by using unique and refmac, I could fix the problem of a few missing low resolution reflections. However, then Pandda crashes apparently during alignment

[ccp4bb] Improvements to onedep deposition system

2018-05-25 Thread John Berrisford
For depositors who subunit replacements after curation of their entries, the new version of wwPDB OneDep system improves this process. This updated process ensures that all new data are checked and validated before the new files are merged into the deposition session. A new validation report

[ccp4bb] Exciting new updates at PDBe

2018-05-25 Thread John Berrisford
You might have noticed some changes on the PDBe website today as we’ve introduced some great improvements to the search options and new features on our entry pages. All these changes should help you to find what you’re looking for in the PDB archive and give you better biological context for th

[ccp4bb] Vacancy@the SPC Facility, EMBL Hamburg Unit

2018-05-25 Thread Margret Fischer
Dear colleagues, I would like to inform you that EMBL Hamburg is currently advertising for a Scientific Officer for the Sample Preparation & Characterization (SPC). The facility supports external researchers carrying out experiments on 3 EMBL beamlines ( 2x MX and 1 SAXS). An extension of the