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refinement of large low resolution structure

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  • readerj14
    Hi all, I have a structure at 2.65A that I m in the process of refining. It s a complex that has ~1100 residues total, and what looks like a fair amount of
    Message 1 of 1 , Sep 20, 2010
      Hi all,
      I have a structure at 2.65A that I'm in the process of refining. It's a complex that has ~1100 residues total, and what looks like a fair amount of flexibility where sections change dramatically depending on whether a ligand is present or not.
      I'm new to crystallography and model building, but was told that CNS has made some progress with creating tricks to make model building easier with low resolution structures. So far I've been using refmac5 and phenix for refinement, but if CNS has other options/utilities, I'm all for them.
      I'm somewhat familiar with how to operate CNS, but I don't know what all it can do, especially when focusing particularly on low resolution structures. If someone could point me in the direction of a potentially useful application, that would be much appreciated.
      Thanks!
      Julie Neubauer
      Duke University
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