[phenixbb] refine occupancies for MET/MSE double conformations

Schubert, Carsten [PRDUS] CSCHUBER at its.jnj.com
Tue Nov 4 09:53:49 PST 2008

Hi Ralf,

for future reference: Could you guys advertise these kind of nuggets a bit more, please? Its great to have this feature in there, but what use is it when only a few people know about it. Did I miss the advert somehow or should I RTFM?



-----Original Message-----
From: phenixbb-bounces at phenix-online.org
[mailto:phenixbb-bounces at phenix-online.org]On Behalf Of Ralf W.
Sent: Tuesday, November 04, 2008 12:36 PM
To: phenixbb at phenix-online.org
Subject: Re: [phenixbb] refine occupancies for MET/MSE double

Hi Tassos,

> However, I want to refine my MET residues in double conformations, one
> as MET (AMET) and the other one as MSE (BMSE) with each 0.5 occupancy
> to start with.

In addition to what Pavel wrote: I just tried out the AMET BMSE mix
without giving any manual atom selections, and it works fine for me.
(P.S.: I'm thrilled to see this use of the
multiple-conformers-with-mixed-residue-names feature,
since it was a lot of work.)

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