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Symmetry Operations

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  • jbjorda
    I am aware of symmetry operations for crystallographic refinement using CNS, but is anyone aware of such capabilities with NMR solution structures ? The older
    Message 1 of 2 , Apr 2, 2002
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      I am aware of symmetry operations for crystallographic refinement
      using CNS, but is anyone aware of such capabilities with NMR solution
      structures ? The older progam Dspace used to have symmetry
      operations, but I would much rather use the newer stuff.

      Cheers,

      Brad Jordan
      University of Arkansas
      Department of Chemistry
    • brian.o.smith@ed.ac.uk
      I presume you re trying to calculate the structure of a symmetric multimer? There are two symmetry constraints in XPLOR/CNS that you should use together to
      Message 2 of 2 , Apr 4, 2002
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        I presume you're trying to calculate the structure of a symmetric
        multimer? There are two symmetry constraints in XPLOR/CNS that you should
        use together to maintain the symmetry of your structures - ncs restraints
        and noe potential symmetry restraints. As I understand it the NCS
        restraints enforce that there is a transformation that maps one monomer to
        another while the "noe potential symmetry" restraints maintain an axis of
        symmetry. There are several papers from Michael Nilges group on the
        subject and we developed a protocol for the symmetric dimer HP-1 shadow
        chromo domain.

        Brian

        On Tue, 2 Apr 2002, jbjorda wrote:

        > I am aware of symmetry operations for crystallographic refinement
        > using CNS, but is anyone aware of such capabilities with NMR solution
        > structures ? The older progam Dspace used to have symmetry
        > operations, but I would much rather use the newer stuff.
        >
        > Cheers,
        >
        > Brad Jordan
        > University of Arkansas
        > Department of Chemistry
        >
        >
        >
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        Dr. Brian O. Smith ----------------------- Brian.O.Smith@...
        Institute of Cell and Molecular Biology, University of Edinburgh,
        King's Buildings, Edinburgh EH9 3JR, UK.
        Tel: 0131 650 7051/7045/4704 Fax: 0131 650 7055
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