Re: [ccp4bb] [ccp4bb] mmCIF files from PDB format for AlphaFill

2024-02-26 Thread CCP4BB
Hi Nick I noticed this today when I was researching the differences between mmCIF and modelCIF - but thanks anyway. I haven't tried running it yet, but the important thing for me is to be able to convert my bare-bones PDB format files to something that AlphaFill will accept - and as the

Re: [ccp4bb] [ccp4bb] mmCIF files from PDB format for AlphaFill

2024-02-26 Thread Nicholas Clark
Hi Harry, I did stumble upon this python mmCIF handler for modelCIF: https://github.com/ihmwg/python-modelcif/blob/main/examples/README.md Maybe this will have something of use to your efforts? Best, Nick Clark Nicholas D. Clark (He/Him) PhD Candidate Malkowski Lab University at Buffalo

[ccp4bb] Postdoctoral position

2024-02-26 Thread Hernando J Sosa
The Sosa Laboratory in the Albert Einstein College of Medicine is currently seeking a highly motivated and talented Postdoctoral Researcher to join our group. Research in our lab is dedicated to uncovering the mechanisms of action of various biological macromolecular machines, employing a

Re: [ccp4bb] [ccp4bb] mmCIF files from PDB format for AlphaFill

2024-02-26 Thread Harry Powell
Hi folks I’ve made considerable progress in getting to the bottom of this problem. From what I can gather, AlphaFold writes “modelCIF”, which is not quite the same as “mmCIF”, and just saying “CIF” is not unambiguous. So I guess I should have been more aware of this when posting my original