Re: [ccp4bb] Maps on mobile phones.

Thank you to those who replied a week or two ago about this. In the end, I put a revised version here: http://minimapai.de/ I'm not sure if that (econo) domain name is a play on words or an aide memoire ;-? Anyway, with practice, it seems to keep working for ~100 or more residues,at a time,

[ccp4bb] Instruct webinar Structure meets function- webinar #18- registration open

Dear all, Registration is now open for the 18th webinar in the series, which will be hosted by Instruct Centre Netherlands on 12 April 2022, 11:00 - 12:30 CEST. The upcoming webinar will feature talks on the

[ccp4bb] RCSB PDB Search APIs V1 Deprecation Notice

Dear all, Starting April 13 2022, new V2 version of RCSB PDB Search APIs will be provided. Programmatic users are encouraged to start adopting the newer version of the APIs as soon as feasible after the release. Preview server provides you with early access to new APIs and documentation:

Re: [ccp4bb] sftools

Dear Eleanor, there appears to be a bug. See the sourcecode of sftools near line 11700: do l=1,ndatasets if (xname(l)(1:lenstr(xname(l))).eq.tmp_xname .and. $ dname(l)(1:lenstr(xname(l))).eq.tmp_dname) then dwavel(l) = tmp_dwave endif

[ccp4bb] Scientist - Computational/Structural biology - Immunocore (UK)

Hi all, Immunocore are looking for an enthusiastic scientist with experience in computational modelling, docking and molecular dynamics simulations of protein complexes to join the protein engineering team. Experience in crystallography is advantageous. The position is based in Milton Park,

[ccp4bb] Research Technician position (HH00211) @ EMBL Hamburg

Dear CCP4BB, I would like to bring to your attention a great opportunity to join our group (the lab of Prof. Matthias Wilmanns) at EMBL Hamburg as a Research technician. Please feel free to spread the word! Closing date: 1 May 2022 link to the job advertisement:

[ccp4bb] Bioinformatician/Scientific Programmer position at PDBe

We have an exciting opportunity for a structural bioinformatician interested in the intersection of bioinformatics and cheminformatics to join the Protein Data Bank in Europe (PDBe) team at the European Bioinformatics Institute (EMBL-EBI) on a 2-year collaborative project between PDBe, ChEMBL

Re: [ccp4bb] sftools

Yes - I did that - so many crystallographic manipulations got built into CAD - and it is sometimes very hard to find the supposedly up-to-date equivalents.. E On Wed, 6 Apr 2022 at 10:09, Paul Emsley wrote: > > Hahaahahahahahahaha! Young wippersnappers! > > > Forwarded Message

Re: [ccp4bb] sftools

Dear Eleanor, I think it would be a good idea to use CAD from the CCP4i GUI: you can change/add cell parameters, crystal, wavelength, dataset and project names. All the best, Philippe Philippe BENAS, Ph.D. ARN UPR 9002 CNRS IBMC Strasbourg 2, Allée Conrad Roentgen F-67084 STRASBOURG cedex

Re: [ccp4bb] Coot and Pandda questions

On 06/04/2022 07:05, Laurent wrote: Good morning (French time…) Two unrelated questions… Using Coot, I would like to define some key binding… How can I find the command that is actually issued from an option in the « calculate » menu ? I would like to define a key binding for the function « 

Re: [ccp4bb] Coot and Pandda questions

Hi Laurent, I wrote a minimalistic version of pandda.inspect which works with any version of ccp4 or operating system. Event maps etc. need to be converted to mtz files beforehand, but suitable scripts and documentation are included in the Github repository below:

[ccp4bb] Coot and Pandda questions

Good morning (French time…) Two unrelated questions… Using Coot, I would like to define some key binding… How can I find the command that is actually issued from an option in the « calculate » menu ? I would like to define a key binding for the function « NCS Tools -> Update NCS ghost using