[phenixbb] constrain insertion codes to unit occupancy?

[Pavel Afonine]

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
>>

-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://phenix-online.org/pipermail/phenixbb/attachments/20161018/16e68ae5/attachment.htm>