Hello list, I've been trying to deposit several structures using CCP4 7.0.061 and finding an error with PDB_extract that I can't seem to overcome. Specifically, the generated reflection.cif file doesn't include the freeR set (confirmed with the deposition program at RCSB and by visual inspection of the file). I have successfully been using an assigned freeR set in refmac and PDB_redo/validation, but I can't seem to get it attached in mmCIF. Has anyone run into this and solved it? Should I be preparing files from a different subfolder or job? I have updated CCP4 and also tried running PDB_extract on the webserver, but no luck. Your guidance is most welcome.
Thanks in advance. -Kate Katherine M. Hoffmann, Ph.D. John L. Stauffer Professor of Analytical Chemistry California Lutheran University 60 West Olsen Road, #3700 Thousand Oaks, CA 91360 805-493-3916 ######################################################################## To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB&A=1
