[buster-discuss] BUSTER refinement - constrained occupancy groups?
Jose Artur Brito
jbrito at itqb.unl.pt
Wed Apr 20 18:01:37 CEST 2016
Dear All,
is it possible to create "constrained occupancy groups" similarly to
what phenix.refine has?
I have a heme c with alternate conformation, a cysteine, also with
alternate conformation, and an active site ligand. I want to constrain
the occupancy of (heme + ligand + cysteine - alternate conformations A),
to one group and the occupancy of (heme + cysteine - alternate
conformations B), to another.
Thanks in advance, cheers,
Jose
--
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* José Artur Brito, PhD *
* *
* Post-Doctoral Fellow *
* Membrane Protein Crystallography Lab *
* Instituto de Tecnologia Química e Biológica *
* Oeiras - Portugal *
* *
* Tel.: +351.21.446.97.61 *
* Fax: +351.21.443.36.44 *
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* E-mail: jbrito at itqb.unl.pt *
* URL: http://mx.itqb.unl.pt *
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