[Xplor-nih] RDC back calculation

Shi,Lei lshi at chem.umn.edu
Sun Jul 15 20:14:55 EDT 2007


Hi,
   Is there a way (xplor script) to back calculate the rdcs from the pdb
(including tensor values and principle axis) generated by xplor-nih? I
generate a set of structures using N-HN rdcs and I would like to use the
structure and tensor values to predict the C-HN rdcs. 
   Any help is greatly appreciated.
   Lei



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