[buster-discuss] Occupancies

[Clemens Vonrhein]

Dear Xavier,

On Fri, Jan 10, 2020 at 10:27:07AM +0100, F.Xavier Gomis-Rüth wrote:
> when refining occupancies with BUSTER, the sum of the alternative
> conformations may sometimes give a value >1. This annoys the Validation
> Server and thus entails that the user has to change this by hand, arbitrarily choosing
> to reset any of the two conformers so that the sum gives exactly 1.
> Is there a possibility to change this?

This should have been fixed in the 20200206 release of BUSTER [1]. Can
you confirm that you see this only with older structures (refined with
an earlier version of BUSTER) or when using a version preior to this
release?

If you still encounter this with the latest version (20200319), please
let us know.

Cheers

Clemens

[1] https://www.globalphasing.com/buster/ReleaseNotes/ReleaseNotes-BUSTER_snapshot_20200206.txt
[2] https://www.globalphasing.com/buster/ReleaseNotes/ReleaseNotes-BUSTER_snapshot_20200319.txt