What happens if you use REFI BREF Overall with a Boverall of 0.0? It might just keep the given atomic B factors and add 0.0 to them? Eleanor
On Wed, 20 Feb 2019 at 12:06, Pearce, N.M. (Nick) <[email protected]> wrote: > 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 <[email protected]> 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) <[email protected]> > 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 > ######################################################################## To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB&A=1
