[buster-discuss] Twin refinement - (im)possible in BUSTER??

[Jose Artur Brito]

Dear All,
I am refining a perfectly twinned structure at 2.22 A with twin operator 
"-k,-h,-l" in P 21 21 21 (data were initially processed in P 41 21 2 
which then prompted for twining).

The MR solution was marginal but I could proceed with model building and 
refinement; model is almost 95 % built and refined and R/Rfree are at 
22.0%/25.4%. However, I still have quite a few loops and ligands that I 
want to build, namely a sirohydrochlorin and a syrohaem.

I have been refining with REFMAC, but I would like to try BUSTER, namely 
using the "-L" flag to "flood" the map with waters trying to "bring up" 
the most out of the missing electron densities for those moieties.

My question is: does BUSTER copes with twin refinement? Can I specify 
the twin operator in the command line?

Best regards, thanks in advance,
Jose

-- 
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*  Jose Artur Brito, PhD                                           *
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*  Membrane Protein Crystallography Laboratory                     *
*  Instituto de Tecnologia Quimica e Biologica Antonio Xavier      *
*  Oeiras - PORTUGAL                                               *
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