Hi,
can't say if that is a new feature of Refmac, but you should be able to
select run and view com file when you start Refmac. If there is a
keyword for occupancy refinement, remove it and start the run. That
might be a workaround for the moment.
Cheers
Christian
Am 06.11.2015 um 17:07 schrieb Oganesyan, Vaheh:
> Colleagues,
>
> Working at relatively high resolution of 1.5A allows in some cases seeing alternative positions of side chains. After placing those in the coordinate file with occ adding to 1.0 and running refinement (latest REFMAC on Win) I find that occupancies of all atoms in the specific residue with altlocs are being modified.
> In the refinement through GUI I've failed to find place where occ refinement is turned on and assumed that occ refinement will be automatically turned on upon presence of altlocs. Apart from being aware of danger associated with some assumptions would you be able to advise what I'm missing in refinement with altlocs?
> Thank you in advance.
>
>
> Regards,
>
> Vaheh Oganesyan
> MedImmune, ADPE
> www.medimmune.com
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