Hi Henry,

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.

Cheers

Christian

Hi:

 

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.

 

Thanks!

 

Henry

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