Hi Maria, I'm not sure if anyone has replied to this chain. However, I had a similar issue when I was trying to prepare files for deposition in the past. You can use the PDB file and upload it to https://pdb-extract.wwpdb.org/ to generate the CIF file for deposition.
Best, Nick Clark On Tue, Jan 30, 2024 at 12:47 PM mdimarog <[email protected]> wrote: > Dear all, > > I am trying to deposit 2 structures to the PDBe, solved and refined in > CCP4 (version 7), and checked in PRIVATEER as they have a lot of sugars > in. To this end, I used "Prepare and validate files for deposition" > task, as I had previously (and succesfully) done. However, and in spite > of switching to the latest CCP4 version (8.0.017), I keep getting this > error message "adding_stats_to_mmcif_i2_gui:Error in wrapper Failed to > add 204". I am using macOS Monterey, version 12.6.5. > > Does anybody have an idea what is going wrong? If not, does anybody know > a different way to submit the reflection data to the PDBe? For example, > would this be somehow possible just using the output from Refmac and > AIMLESS? I wouldn't want to repeat the scaling/MR/refinement procedure > because there are a lot of sugars there, quite difficult to built. > > Many thanks in advance for your help! > > Kind regards, > > Maria > > > > > -- > Maria Dimarogona > Assistant Professor > Department of Chemical Engineering > University of Patras > Greece > > ######################################################################## > > 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%7C545ac7ba998f4ce2969808dc21bb8142%7C96464a8af8ed40b199e25f6b50a20250%7C0%7C0%7C638422336438814400%7CUnknown%7CTWFpbGZsb3d8eyJWIjoiMC4wLjAwMDAiLCJQIjoiV2luMzIiLCJBTiI6Ik1haWwiLCJXVCI6Mn0%3D%7C0%7C%7C%7C&sdata=YKfa3h9sRJj6cbgJFBxpBi5EVoqQzgQ2WhR3emet%2FpA%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%7C545ac7ba998f4ce2969808dc21bb8142%7C96464a8af8ed40b199e25f6b50a20250%7C0%7C0%7C638422336438814400%7CUnknown%7CTWFpbGZsb3d8eyJWIjoiMC4wLjAwMDAiLCJQIjoiV2luMzIiLCJBTiI6Ik1haWwiLCJXVCI6Mn0%3D%7C0%7C%7C%7C&sdata=vX9RTJ76l5tJcyJ34%2BS9%2BN8s3h7NJzDaAaicXIkXsS0%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%7C545ac7ba998f4ce2969808dc21bb8142%7C96464a8af8ed40b199e25f6b50a20250%7C0%7C0%7C638422336438814400%7CUnknown%7CTWFpbGZsb3d8eyJWIjoiMC4wLjAwMDAiLCJQIjoiV2luMzIiLCJBTiI6Ik1haWwiLCJXVCI6Mn0%3D%7C0%7C%7C%7C&sdata=j1PiKnOm5Kl9o52iCrPFKB2yn1G0NEE8LSN6NWYKMMY%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%7C545ac7ba998f4ce2969808dc21bb8142%7C96464a8af8ed40b199e25f6b50a20250%7C0%7C0%7C638422336438814400%7CUnknown%7CTWFpbGZsb3d8eyJWIjoiMC4wLjAwMDAiLCJQIjoiV2luMzIiLCJBTiI6Ik1haWwiLCJXVCI6Mn0%3D%7C0%7C%7C%7C&sdata=u5gtFHV93OQIdSkO0ILxTtANE%2BAppKE4sWQgXMQieeA%3D&reserved=0 > -- 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 ######################################################################## 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/
