[phenixbb] constrain insertion codes to unit occupancy?
pafonine at lbl.gov
Tue Oct 18 04:53:27 PDT 2016
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
"13 typical occupancy refinement scenarios and available options in
Please let me know if this is not your case, or it is still not clear,
or you need help with this anyway..
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.
> 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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