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ACE NMR data?

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  • Tom Lenaerts
    Hello everyone, I m rather new to using CNS yet I would like to use it to generate structures from NMR restraint data. My structure consists of a protein and a
    Message 1 of 1 , Nov 24, 2008
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      Hello everyone,

      I'm rather new to using CNS yet I would like to use it to generate
      structures from NMR restraint data.
      My structure consists of a protein and a a peptide. At the n-terminal
      part of the peptide there is an ACE.

      I noticed that ACE is present in the CNS 1.21 topology files yet some
      data seems to be missing related to the H-bonds to
      generate an ensemble of structure using the NOE data. I also saw on
      the CNS website that there
      are some additional parameter files for capping yet they do not work
      for my case either. I assume this information is for the
      derivation of crystal structures only.

      Can anyone tell me which data I need to include in CNS to derive the
      structures or where I can find the files
      to perform this work.

      kind regards
      Tom
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