Hi Henry,

first off you don't need to use insertion codes to do what you are trying to do.

Second, it looks like this scenario is described in section 5 here (page 42):

"13 typical occupancy refinement scenarios and available options in phenix.refine"
https://www.phenix-online.org/newsletter/CCN_2015_07.pdf

Please let me know if this is not your case, or it is still not clear, or you need help with this anyway..

Good luck,
Pavel

On 10/17/16 11:05, Christian Roth wrote:

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

Am 15.10.2016 um 22:15 schrieb van den Bedem, Henry:

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