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Hi Deniz, yes you can do that, though I don't know right now how B-factors are taken into account when refining occupancies. Anyway, in i2 you have to go to the advanced tab. There is a place to put keywords in (text area). There you put the right combination of keywords for your special cases. Regarding syntax, please look here. http://www.ysbl.york.ac.uk/refmac/data/refmac_keywords.html#Occupancy Hope you find the right combination of keywords and it will work out for you Cheers Christian On Mon, Jun 24, 2019 at 10:57 PM "Deniz Üresin" <[log in to unmask]> wrote: > Hello, > when I add an alternative conformation of a residue in COOT, I have to set > the occupancy of both conformers, but Refmac5 won't touch these numbers. > Can I tell Refmac to check for the best fitting occupancies (in the Windows > version of CCP4i2)? > > With kind regards, > Deniz Üresin > > Institute for Biophysics > Goethe-University Frankfurt > Max-von-Laue-Straße 1 > 60438 Frankfurt/Main > > ------------------------------ > > 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