Good morning, Sorry to hijack this post but I too am facing this issue with my structure that Maria faced with the error :-ERROR- adding_stats_to_mmcif_i2_gui:0 Error in wrapper Failed to adding_stats_to_mmcif:: No description available 204'
I'm in the middle of depositing 8 structures and 5 have been able to run the new deposition task in ccp4i2 perfectly well, but this one structure fails on this task. Is it correct to just upload the mtz direct from AIMLESS if i use the 'export mtz' feature, and the mmcif coordinate file output from REFMAC? Basically, does the export mtz feature merge the individual 'mini' mtz files to the appropriate file for deposition? Kind regards, Kyle ________________________________ From: CCP4 bulletin board <[email protected]> on behalf of Deborah Harrus <[email protected]> Sent: 05 February 2024 11:30 To: [email protected] <[email protected]> Subject: Re: [ccp4bb] Error in "Prepare and validate files for deposition" task" [You don't often get email from [email protected]. Learn why this is important at https://aka.ms/LearnAboutSenderIdentification ] CAUTION: This email came from outside of the University. To keep your account safe, only click on links and open attachments if you know the person who sent the email, or you expected to receive this communication. Dear Maria, Apologies for late reply. I'm not sure which version of "adding_stats_to_mmcif" is in CCP4 at the moment, but if you're facing the issue again in the future please could you try using the latest version at https://eur01.safelinks.protection.outlook.com/?url=https%3A%2F%2Fgithub.com%2FwwPDB%2Fpy-adding_stats_to_mmcif&data=05%7C02%7Ckg540%40BATH.AC.UK%7Ca2da4c7a08cf40de9de108dc263de8c0%7C377e3d224ea1422db0ad8fcc89406b9e%7C0%7C0%7C638427294559869400%7CUnknown%7CTWFpbGZsb3d8eyJWIjoiMC4wLjAwMDAiLCJQIjoiV2luMzIiLCJBTiI6Ik1haWwiLCJXVCI6Mn0%3D%7C0%7C%7C%7C&sdata=0n20FfuiT4BowGhlCH0ntguUpGrJF8v4Ckui2rQsPxs%3D&reserved=0<https://github.com/wwPDB/py-adding_stats_to_mmcif> ? If it doesn't work, please feel free to send me your file and I will troubleshoot. Kind regards, Deborah Harrus PDBe On 30/01/2024 17:36, mdimarog 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 > > > > -- ------------------------------------------------------------------- Deborah Harrus, Ph.D. PDBe Archive Project Leader, Biocuration Lead PDBe - Protein Data Bank in Europe European Bioinformatics Institute (EMBL-EBI) European Molecular Biology Laboratory Wellcome Trust Genome Campus Hinxton Cambridge CB10 1SD UK https://eur01.safelinks.protection.outlook.com/?url=http%3A%2F%2Fwww.pdbe.org%2F&data=05%7C02%7Ckg540%40BATH.AC.UK%7Ca2da4c7a08cf40de9de108dc263de8c0%7C377e3d224ea1422db0ad8fcc89406b9e%7C0%7C0%7C638427294559875680%7CUnknown%7CTWFpbGZsb3d8eyJWIjoiMC4wLjAwMDAiLCJQIjoiV2luMzIiLCJBTiI6Ik1haWwiLCJXVCI6Mn0%3D%7C0%7C%7C%7C&sdata=ATB6k8QzVWAtI4r84%2Fd2blAHCF2SnjM9D2i0lQfRb7c%3D&reserved=0<http://www.pdbe.org/> ------------------------------------------------------------------- ######################################################################## To unsubscribe from the CCP4BB list, click the following link: https://eur01.safelinks.protection.outlook.com/?url=https%3A%2F%2Fwww.jiscmail.ac.uk%2Fcgi-bin%2FWA-JISC.exe%3FSUBED1%3DCCP4BB%26A%3D1&data=05%7C02%7Ckg540%40BATH.AC.UK%7Ca2da4c7a08cf40de9de108dc263de8c0%7C377e3d224ea1422db0ad8fcc89406b9e%7C0%7C0%7C638427294559878745%7CUnknown%7CTWFpbGZsb3d8eyJWIjoiMC4wLjAwMDAiLCJQIjoiV2luMzIiLCJBTiI6Ik1haWwiLCJXVCI6Mn0%3D%7C0%7C%7C%7C&sdata=a%2BLcPbVtFn%2BrtnPWPZ0PpUVv8er34RhTmxNO%2BRYMSUE%3D&reserved=0<https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1> This message was issued to members of https://eur01.safelinks.protection.outlook.com/?url=http%3A%2F%2Fwww.jiscmail.ac.uk%2FCCP4BB&data=05%7C02%7Ckg540%40BATH.AC.UK%7Ca2da4c7a08cf40de9de108dc263de8c0%7C377e3d224ea1422db0ad8fcc89406b9e%7C0%7C0%7C638427294559881828%7CUnknown%7CTWFpbGZsb3d8eyJWIjoiMC4wLjAwMDAiLCJQIjoiV2luMzIiLCJBTiI6Ik1haWwiLCJXVCI6Mn0%3D%7C0%7C%7C%7C&sdata=%2B1A1L%2BI%2BWfP4OEhjn5tpIGSwz6jYhsMsvg0n66w7kyI%3D&reserved=0<http://www.jiscmail.ac.uk/CCP4BB>, a mailing list hosted by https://eur01.safelinks.protection.outlook.com/?url=http%3A%2F%2Fwww.jiscmail.ac.uk%2F&data=05%7C02%7Ckg540%40BATH.AC.UK%7Ca2da4c7a08cf40de9de108dc263de8c0%7C377e3d224ea1422db0ad8fcc89406b9e%7C0%7C0%7C638427294559884737%7CUnknown%7CTWFpbGZsb3d8eyJWIjoiMC4wLjAwMDAiLCJQIjoiV2luMzIiLCJBTiI6Ik1haWwiLCJXVCI6Mn0%3D%7C0%7C%7C%7C&sdata=fr6j%2BdvpNYavWNHq2AoXqstKUGcZuCHvgFibQtZeOCM%3D&reserved=0<http://www.jiscmail.ac.uk/>, terms & conditions are available at https://eur01.safelinks.protection.outlook.com/?url=https%3A%2F%2Fwww.jiscmail.ac.uk%2Fpolicyandsecurity%2F&data=05%7C02%7Ckg540%40BATH.AC.UK%7Ca2da4c7a08cf40de9de108dc263de8c0%7C377e3d224ea1422db0ad8fcc89406b9e%7C0%7C0%7C638427294559887584%7CUnknown%7CTWFpbGZsb3d8eyJWIjoiMC4wLjAwMDAiLCJQIjoiV2luMzIiLCJBTiI6Ik1haWwiLCJXVCI6Mn0%3D%7C0%7C%7C%7C&sdata=ufSHkT5nc1rte2t6BdNbMoaNEDeeZ3wSOUD3w6tD1zk%3D&reserved=0<https://www.jiscmail.ac.uk/policyandsecurity/> ######################################################################## 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/
