Dear all, Thank you for your many suggestions! Indeed, I was not able to fix the issue to my satisfaction. As Paul suspected, set_add_terminal_residue_do_post_refine was already set to 0. The triple-refine also did not improve anything. I also checked for the TER records, which I also suspected first, but there are none in my PDB file.
The workaround solution was to delete a larger number of residues and eventually start adding from the opposite end of the chain I was adding previously. For some reason, this worked in multiple instances. However, it was a trial-and-error of how many residues I had to first remove and then re-add to make it work. I am still puzzled by this - please let me know if anybody ever gets to the root of this. Kind regards, Hauke ######################################################################## To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB&A=1
