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Supported Applications

CcpNmr ChemBuild

  • Description

    a graphical tool to construct chemical compound definitions for NMR, created to handle concepts like protonation variants and magnetic equivalence that are required for NMR resonance assignment. Several different chemical file formats are supported, including PDB, .mol and .mol2, but ChemBuild is special in its ability read and write CCPN chemical component XML files, which store NMR-aware information.

  • Usage Notes

    The currently available version is a beta test release and bug reports are welcome. Bug reports should be made via the CCPNMR mailing list at JISC.

  • Citation Note

    Users of the program should simply cite the CCPN web site.

  • Tales

    Unplanned Pioneer

    Unplanned Pioneer

    When Tim Stevens finished his PhD in biochemistry at the University of Cambridge in 1999, he needed a job to tide him over for a few months. When he discovered that his department had 9 months of grant funding for someone to do Nuclear Magnetic Resonance Imaging (NMR) analysis, he applied.

    Even though he'd never done NMR work before, he got the job, and so defined the next decade of his career.

    During that 9-month stint, Stevens solved one structure on his own and assisted with another. "I'd done a lot of computing work and I knew my way around a protein very well," he says, "so using the NMR software came naturally to me."

    The software Stevens was using had been written in the 1980s ...

    Read More.
  • Keywords

    NMR

  • Default Versions

    Linux 64:  1.0
    OS X INTEL:  1.0

  • Other Available Versions

      Linux 32:

      0.6.1
  • Developers

    Magnus Lundborg, Tim Stevens.

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