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Copyright © 2003 Nicolas Sapay
last modified : apr 2006
wabmaster: n.sapay

  • Scripts for NMR

    • noe2xplor.py
      converts a NOE peak assignment lists from Sparky into an XPLOR-NIH distance restraints file
      release 1.0 [ download readme.txt ]
    • csdiff.py
      compute chemical shift difference on N, HN, Cα, Hα, Cβ and C' from a Sparky resonance list. Four different chemical shift indexes can be used (Schwarzinger, Merutka, Wishart, Thanabal)
      release 1.3.1 [ download readme.txt ]
    • sparky2bmrb.py
      Converts a chemical shift list from Sparky into a BMRB submission form
      release 1.0 [ download readme.txt ]
    • bmrb.py
      Sparky Extension version of sparky2bmrb.py
      release 1.1 [ download readme.txt ]