Hi Phil, Thank you for the clarification, I didn't realize the CheckCIF is for small molecules. We tried to submit the manuscript to a chemical magazine and found "CheckCIF reports must be submitted to the Cambridge Crystallographic Data Centre (CCDC) *prior to manuscript submission". In fact I have had the validation for protein structure as I submitted the structure to PDB library. I'll ask our collaborator whether they really need it for protein structure.*
*Thanks* *Ning* On Thu, Apr 20, 2023 at 4:19 PM Phil Jeffrey <pjeff...@princeton.edu> wrote: > Hello Ning > > CheckCIF checks small molecule crystallographic cif files - the > dictionaries and expectations on the contents are not the same as for > mmcif, although the underlying syntax is the same. > > I'm unaware of anything that does the equivalent of CheckCIF for > macromolecular cif files. > > Phil Jeffrey > Princeton > > > On 4/20/23 4:02 PM, Ning Li wrote: > > Hi all, > > > > Does anybody know why I got this error message: > > > > /Checking for embedded fcf data in CIF .../ > > /No extractable fcf data in found in CIF/ > > > > as I uploaded the CIF file to https://checkcif.iucr.org/ > > < > https://nam12.safelinks.protection.outlook.com/?url=https%3A%2F%2Fcheckcif.iucr.org%2F&data=05%7C01%7Cpjeffrey%40PRINCETON.EDU%7C68cb158f5d564e523dd208db41da53c1%7C2ff601167431425db5af077d7791bda4%7C0%7C0%7C638176178344904359%7CUnknown%7CTWFpbGZsb3d8eyJWIjoiMC4wLjAwMDAiLCJQIjoiV2luMzIiLCJBTiI6Ik1haWwiLCJXVCI6Mn0%3D%7C3000%7C%7C%7C&sdata=AGJyz7EJ7Isif6JDsBSfsrr8lg%2BgFsp4gjjA2pOTld0%3D&reserved=0> > for > structure validation? The CIF file was directly from phenix.refine during > structure refinement. > > > > Appreciate your help > > > > Ning > > > > > > ------------------------------------------------------------------------ > > > > To unsubscribe from the CCP4BB list, click the following link: > > https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1 > > < > 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%7C01%7Cpjeffrey%40PRINCETON.EDU%7C68cb158f5d564e523dd208db41da53c1%7C2ff601167431425db5af077d7791bda4%7C0%7C0%7C638176178344904359%7CUnknown%7CTWFpbGZsb3d8eyJWIjoiMC4wLjAwMDAiLCJQIjoiV2luMzIiLCJBTiI6Ik1haWwiLCJXVCI6Mn0%3D%7C3000%7C%7C%7C&sdata=lPCCK274is8BSjU5Hl5qTY6wODAdprb5VepQ%2F%2FLJTUA%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/
