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SBGridTV

Supported Applications

Phenix/DivCon

  • Description

    a linear-scaling, semiempirical quantum mechanics (SE-QM) program DivCon with the Phenix X-ray refinement engine. Phenix/DivCon does not utilize CIF(s), link restraints and other refinement parameters so there are fewer assumptions about the model. Accurate energy and density scoring tools also allow tautomer/protomer and “flip state” determination.

  • Primary Citation*

    O. Borbulevych, J. Plumley, R. Martin, K. J. Merz, and L. Westerhoff.. 2014. Accurate macromolecular crystallographic refinement: incorporation of the linear scaling, semiempirical quantum-mechanics program DivCon into the PHENIX refinement package. Acta Crystallogr D Biol Crystallogr.. 70: 1233-1247.

    • *Full citation information available through

  • Categories

    Crystallography, Computational Chemistry

  • Default Versions

    Linux 64 7.1.1-b4015.17
    OS X INTEL 7.1.1-b4015.17

  • Other Available Versions

    Linux 64 b2927
    Linux 64 b3072
    OS X INTEL b3111

  • Developers

    Lance Westerhoff.

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