[phenixbb] How should we estimate the "uncertainty" of the occupancy of an atom?

Pavel Afonine pafonine at lbl.gov
Wed Feb 11 11:51:46 PST 2015


Sphere B-factor restraints used in phenix.refine are least restrictive 
amongst those I've seen so far. So perhaps this is fine.

Pavel


On 2/11/15 11:47 AM, Tim Gruene wrote:
>
> On 02/11/2015 07:21 PM, Pavel Afonine wrote:
>> Hello Masaki,
>>
>> [...]
>> 3) Extract occupancies in question. They will make some distribution and
>> the spread of that distribution will tell you hint you the uncertainty.
> ... tainted by any B-factor restraints in use
>
> Best,
> Tim
>
>>
>>
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