[ccp4bb] Refinement of Occupancy in Refmac

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 Inst

[ccp4bb] Aw: [ccp4bb] AW: [EXTERNAL] [ccp4bb] refmac5 problems with unnatural amino acid

erman   Von: CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK] Im Auftrag von "Deniz Üresin" Gesendet: Mittwoch, 3. April 2019 13:15 An: CCP4BB@JISCMAIL.AC.UK Betreff: [EXTERNAL] [ccp4bb] refmac5 problems with unnatural amino acid   Hello, I'm trying to refine the structure

[ccp4bb] Aw: Re: [ccp4bb] refmac5 problems with unnatural amino acid

t;REFI IDEALISE" or how to turn on "MONITOR MANY". I will take a look into that and give an update as soon as I have something new.   Again, thank you very much! With kind regards, Deniz   Gesendet: Mittwoch, 03. April 2019 um 13:37 Uhr Von: "Eleanor Dodson" An: &q

[ccp4bb] refmac5 problems with unnatural amino acid

hould have a bond angle of 180°). I set the SD of the angle to 0 but that didn't help (the "refined" bond angle ends up somewhere between 120 and 150°). Is there any other way to tell refmac5 to not alter that bond angle? Thanks in advance, Deniz Üresin   _____ Deniz