Hi! The R factor describes agreement between the refined model and the processed diffraction data.
Without the diffraction data, one cannot calculate an R factor just from atomic positions. To me, it seems like your best bet would be to try and retain the R factor information in the PDB file header, or recover this information using the PDB accession codes. I suspect this can be done relatively easily through the API, but others can better advise you on how to do this. HTH, Dave Dr David C. Briggs CSci MRSB Principal Laboratory Research Scientist Signalling and Structural Biology Lab The Francis Crick Institute London, UK == about.me/david_briggs<http://about.me/david_briggs> ________________________________ From: CCP4 bulletin board <CCP4BB@JISCMAIL.AC.UK> on behalf of Abhilasha Thakur <thakur.08...@gmail.com> Sent: Wednesday, June 1, 2022 7:09:20 AM To: CCP4BB@JISCMAIL.AC.UK <CCP4BB@JISCMAIL.AC.UK> Subject: [ccp4bb] Regarding R factor value (R Free) External Sender: Use caution. Hii!! I have 1500 processed PDB files and I need the R factor value for each pdb files. How I get this R factor value, because it's there initially but, after processing, some data from PDB is deleted only the atom and coordinate information is there no header information in the PDBs. Manually to get R factor is not possible. Please suggest me, how to get this R factor value for the entire PDB ids. ________________________________ 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://eur03.safelinks.protection.outlook.com/?url=https%3A%2F%2Fwww.jiscmail.ac.uk%2Fcgi-bin%2FWA-JISC.exe%3FSUBED1%3DCCP4BB%26A%3D1&data=05%7C01%7C%7Cd4975213a1c64fb99e9008da4395526a%7C4eed7807ebad415aa7a99170947f4eae%7C0%7C1%7C637896605865069397%7CUnknown%7CTWFpbGZsb3d8eyJWIjoiMC4wLjAwMDAiLCJQIjoiV2luMzIiLCJBTiI6Ik1haWwiLCJXVCI6Mn0%3D%7C2000%7C%7C%7C&sdata=YqznGRhNepBhZaOjTZ%2FKnd%2BuvPcEzV5Fv5p6VpJpVAU%3D&reserved=0> The Francis Crick Institute Limited is a registered charity in England and Wales no. 1140062 and a company registered in England and Wales no. 06885462, with its registered office at 1 Midland Road London NW1 1AT ######################################################################## 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/
