But no way to fix to a set of refined/parametrised Bfactors and refine? (That’s the one I wanted most). I.e. “refi coordsonly”.
Thanks, Nick On 20 Feb 2019, at 12:47, Jon Agirre <jon.agi...@york.ac.uk<mailto:jon.agi...@york.ac.uk>> wrote: Hi Nick, you can refine B-factors while leaving coordinates untouched by using the 'refi bonly' keywords. You can also preset an average (e.g. Wilson B) and have refmac do coordinate refinement (http://www.ccp4.ac.uk/html/refmac5/keywords/xray-principal.html#refi). Cheers, Jon On Wed, 20 Feb 2019 at 11:29, Pearce, N.M. (Nick) <n.m.pea...@uu.nl<mailto:n.m.pea...@uu.nl>> wrote: Hi all, Is it possible to fix the B-factors/coordinates of a model in refinement with REFMAC? It’s trivial to do so in phenix.refine (strategy=…), but I can’t find an equivalent command line flag in refmac… Thanks, Nick Post-doctoral Fellow, Crystal and Structural Chemistry, Utrecht University ######################################################################## To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB&A=1 -- Dr Jon Agirre Royal Society University Research Fellow York Structural Biology Laboratory / Department of Chemistry University of York, Heslington, YO10 5DD, York, UK http://www.york.ac.uk/chemistry/research/ysbl/people/staff/jagirre/ Office: /B/K/065 Phone: +44 (0) 1904 32 8252 Twitter: @alwaysonthejazz ######################################################################## To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB&A=1
