OK, I first had to “import coot”. Then with: coot.set_rotamer_search_mode(ROTAMERSEARCHLOWRES)
I got the error NameError: name 'ROTAMERSEARCHLOWRES' is not defined but I tried again with coot.set_rotamer_search_mode(coot.ROTAMERSEARCHLOWRES) and that worked. Thanks! Is there an equivalent to the ~/.coot startup file where I can add this to make it a default setting? Apologies if that’s documented somewhere, there are so many years of coot documentation online that I can’t get google to direct me to the new stuff. -- Kevin M. Jude, PhD Structural Biology Research Specialist, Garcia Lab Howard Hughes Medical Institute Stanford University School of Medicine Beckman B177, 279 Campus Drive, Stanford CA 94305 From: Paul Emsley <[email protected]> Date: Monday, January 5, 2026 at 8:32 PM To: Kevin M Jude <[email protected]>, [email protected] <[email protected]> Subject: Re: Backrub rotamers in coot-1 On 05/01/2026 20:37, Kevin M Jude wrote: Is there a way to turn on backrub rotamers in coot 1.20 for Mac. In 0.9.x I have a toolbar button to toggle back rub rotamers (I keep it always on), but I don’t know of any other way to toggle the setting. coot.set_rotamer_search_mode(m) where m is ROTAMERSEARCHLOWRES # backrub ROTAMERSEARCHHIGHRES # old “backrub rotamers for chain” is overkill for me, I just want to use autofit rotamer for specific residues. Copy your working fragment to a new molecule work on the (new molecule) fragment Replace Fragment (move the atoms of the original model to where the new molecule fragment atoms are) Paul. ######################################################################## To unsubscribe from the COOT list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=COOT&A=1 This message was issued to members of www.jiscmail.ac.uk/COOT, a mailing list hosted by www.jiscmail.ac.uk, terms & conditions are available at https://www.jiscmail.ac.uk/policyandsecurity/
