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