[ccp4bb] Deprecation of MMTF-format files for the PDB archive

>From July 2024 the PDB file archive will not be offered in the compressed MMTF format anymore. Users are strongly encouraged to switch to the BinaryCIF format , which has been available since 2020. Details on how to access BinaryCIF (BCIF) data files for the e

Re: [ccp4bb] Automated refinement convergence

That is an interesting point, for those using big clusters to do extensive computing work. I assume universities are 'going green' but that it will take a while for this to happen. I just use my home computer and have my own solar panels and battery to keep things running. cheers, tom _

[ccp4bb] General interest: Interoperability of crystallographic data and databases

Dear Colleagues, I imagine you will be interested in this Feature Article on the "Interoperability of crystallographic data and databases" in the current issue of IUCrJ:- https://journals.iucr.org/m/issues/2024/01/00/lt5064/index.html Best wishes, John Emeritus Professor John R Helliwell DSc #

[ccp4bb] mRNA secondary structure prediction in 3D

Hi all, I have a mRNA which forms a putative secondary structure. Is there any Webserver which takes the primary sequence of mRNA and can give me the predicted PDB file with the secondary structure formed? Regards and Thanks ##

Re: [ccp4bb] Automated refinement convergence

Hello all, While there is definitely scientific value in reaching perfect convergence by "cooking" refinement jobs "à point", in this day and age I think we should all reflect on whether this value is worth it, given that computing is also contributing to cooking the planet. I am not advocati