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Re: [cnsbb] Digest Number 559

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  • Brian Smith
    ... CNS normally has no problems reading J coupling restraints so long as you have them formatted correctly and have set up the Karplus curve for them
    Message 1 of 1 , Nov 1, 2004
      > From: "Daniel F. Silva" <daniel@...>
      >
      > Hi. I have problems with J coupling NMR restriction. I put it, but I think
      > that CNS doesn't read the error parameters. Anybody may help-me?

      CNS normally has no problems reading J coupling restraints so long as you
      have them formatted correctly and have set up the Karplus curve for them
      appropriately. BUT it reports violations as the difference between the
      target value and the value in your structure without taking into account
      any error/confidence limit you may have added to it. This does not seem
      to mean that the restraints aren't used as you expect them to be in the
      calculation, but is a pain for violation analysis.


      -- Dr. Brian O. Smith ---------------------- B.Smith art bio gla ac uk
      Division of Biochemistry & Molecular Biology,
      Institute Biomedical & Life Sciences,
      Joseph Black Building, University of Glasgow, Glasgow G12 8QQ, UK.
      Tel: 0141 330 5167/6459 Fax: 0141 330 8640
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