[phenixbb] occupancy on a special position
Ralf W. Grosse-Kunstleve
rwgk at yahoo.com
Tue Apr 5 20:26:38 PDT 2011
Hi Maia,
I changed the phenix.refine behavior back in Dec 2009. If you have any phenix
version released in 2010 or 2011 (dev-268 or later), setting the occupancy to
0.50 should do what you expect.
Ralf
----- Original Message ----
> From: Maia Cherney <chern at ualberta.ca>
> To: Pavel Afonine <pafonine at lbl.gov>; PHENIX user mailing list
><phenixbb at phenix-online.org>
> Sent: Tue, April 5, 2011 8:03:44 PM
> Subject: Re: [phenixbb] occupancy on a special position
>
> Hi,
>
> I have a water on a two fold axis, I gave it occupancy 0.50, but the program
>makes it 1.0. I know this was discussed before, but we have to abide by the PDB
>rules, that is to have this occupancy =0.5.
>
> Could you please, fix this problem.
>
> Maia
>
>
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