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The MR solutions for both structures were initially refined using REFMAC, and subsequent rounds of refinement used PHENIX and manual model building with COOT.
We focus particularly on schemes of adaptive refinement, used to resolve the multiple length scales in a streamer discharge without a high computational cost.
Subsequent structural refinement used the program CNS [28].
The simulation with adaptive mesh refinement used 100.4 msecs in computer time.
Administration of analgesic agents to animals undergoing surgical procedures is a refinement used to alleviate pain.
Since MTSL is a widely used spin probe for EPR spectroscopic studies, the method of structure refinement used in this study can be widely applied to many other membrane proteins.
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The solution was then subjected to multiple rounds of refinement using the Refine module of PHENIX.
The structure was then refined in an iterative procedure via refinement using the software Refmac 5.02 [22] and manually rebuilding using Quanta2006 (Accelrys).
Protein models were refined by rigid body refinement and restrained refinement using Buster.
The structure was refined using iterative cycles of model building and refinement using COOT and phenix.refine, respectively.
Each of these re-refined structures was used as the input structure for ensemble refinement, using the same run-time parameters.
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