[phenixbb] constrain insertion codes to unit occupancy?
christianroth034 at gmail.com
Mon Oct 17 11:05:46 PDT 2016
have you created a proper constraint group including both compounds as
described in the manual under special cases for occupancy refingement?
That should work, I presume.
Am 15.10.2016 um 22:15 schrieb van den Bedem, Henry:
> I’m refining a site where there’s two compounds, each at partial
> occupancy. I modeled that using alt codes and insertion codes
> combined, like this
> ATOM 6500 CA ACYS B 101B
> ATOM 6490 CA BXXX B 101A
> How can I constrain the occupancies so that they sum to unity? I tried
> several option, but the distinct insertions seem to refine
> independently. Sorry if a similar question has been posted before, but
> I could not find a solution searching phenixbb.
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