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 Department of Structural Biology Jacob's School of Medicine & Biomedical Sciences 955 Main Street, RM 5130 Buffalo, NY 14203 Cell: 716-830-1908 On Mon, Feb 26, 2024 at 7:16 AM Harry Powell < 0000193323b1e616-dmarc-requ...@jiscmail.ac.uk> wrote: > 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 question. > > With regard to the programs mentioned (note these are not all my analyses, > so please don’t shoot the messenger!) - > > * Pymol produces a file which is some way from “standard” and would need > work to make it usable (so something for Schroedinger to work on, perhaps). > > * Coot *almost* produces a file that can be used (authors aware). > > * Gemmi is also close, but no cigar (authors aware). > > * I’d guess that Maxit was last revised many years before modelCIF was > introduced so I don’t think this would be a fruitful path to follow (the > build failed on my newly installed Linux because it was an unrecognised > system, and the most recent binary was built in 2008). > > Many thanks to everyone who took the time to read and answer my question! > > Harry > > ######################################################################## > > To unsubscribe from the CCP4BB list, click the following link: > > https://nam12.safelinks.protection.outlook.com/?url=https%3A%2F%2Fwww.jiscmail.ac.uk%2Fcgi-bin%2FWA-JISC.exe%3FSUBED1%3DCCP4BB%26A%3D1&data=05%7C02%7Cndclark2%40g-mail.buffalo.edu%7C4b61569c771540b3e08b08dc36c4b41b%7C96464a8af8ed40b199e25f6b50a20250%7C0%7C0%7C638445465773022347%7CUnknown%7CTWFpbGZsb3d8eyJWIjoiMC4wLjAwMDAiLCJQIjoiV2luMzIiLCJBTiI6Ik1haWwiLCJXVCI6Mn0%3D%7C0%7C%7C%7C&sdata=xYMS5WSaukIQH01xhrcT49KB%2Fk2n0%2FgBxj%2BmhVV8%2F48%3D&reserved=0 > > This message was issued to members of > https://nam12.safelinks.protection.outlook.com/?url=http%3A%2F%2Fwww.jiscmail.ac.uk%2FCCP4BB&data=05%7C02%7Cndclark2%40g-mail.buffalo.edu%7C4b61569c771540b3e08b08dc36c4b41b%7C96464a8af8ed40b199e25f6b50a20250%7C0%7C0%7C638445465773022347%7CUnknown%7CTWFpbGZsb3d8eyJWIjoiMC4wLjAwMDAiLCJQIjoiV2luMzIiLCJBTiI6Ik1haWwiLCJXVCI6Mn0%3D%7C0%7C%7C%7C&sdata=LycsBxH4qFwd5BLg8%2BKWR264yylOYJkO4J2fH9atfU4%3D&reserved=0, > a mailing list hosted by > https://nam12.safelinks.protection.outlook.com/?url=http%3A%2F%2Fwww.jiscmail.ac.uk%2F&data=05%7C02%7Cndclark2%40g-mail.buffalo.edu%7C4b61569c771540b3e08b08dc36c4b41b%7C96464a8af8ed40b199e25f6b50a20250%7C0%7C0%7C638445465773022347%7CUnknown%7CTWFpbGZsb3d8eyJWIjoiMC4wLjAwMDAiLCJQIjoiV2luMzIiLCJBTiI6Ik1haWwiLCJXVCI6Mn0%3D%7C0%7C%7C%7C&sdata=GOMHrLwX%2B5G8cvye1qGGdmpMATWZxFVn7IKISNvv3t0%3D&reserved=0, > terms & conditions are available at > https://nam12.safelinks.protection.outlook.com/?url=https%3A%2F%2Fwww.jiscmail.ac.uk%2Fpolicyandsecurity%2F&data=05%7C02%7Cndclark2%40g-mail.buffalo.edu%7C4b61569c771540b3e08b08dc36c4b41b%7C96464a8af8ed40b199e25f6b50a20250%7C0%7C0%7C638445465773022347%7CUnknown%7CTWFpbGZsb3d8eyJWIjoiMC4wLjAwMDAiLCJQIjoiV2luMzIiLCJBTiI6Ik1haWwiLCJXVCI6Mn0%3D%7C0%7C%7C%7C&sdata=x1FsTM0njQwvNEHdpb%2B3xbiRtnFwixCshZG9mHrjqco%3D&reserved=0 > ######################################################################## To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1 This message was issued to members of www.jiscmail.ac.uk/CCP4BB, a mailing list hosted by www.jiscmail.ac.uk, terms & conditions are available at https://www.jiscmail.ac.uk/policyandsecurity/
