Hello Michael-- > > I have EPR data that describes the alignment between two rigid > nitroxide spin labels. The alignment is described in terms of an > euler angle transformation required to transpose one nitroxide > residue to the position of the second along with the deviation > between the two labels.
If you have orientation and distance between the two rigid bodies, you can convert this to three distances and simply use distance restraints. Am I missing something? The most commonly used Xplor-NIH term for orientational restraints is that for (residual) dipolar coupling. Might it be possible to convert your restraints into pseudo-RDC restraints? > I also have a distribution of the spin > label in relation to the protein structure, is it possible to > include the data in a rigid body refinement using Xplor-NiH? Do you mean the orientation, or do you have information on the spatial distribution of the spin label tags relative to the protein? I think I need a little more information to be able to fully help you. best regards-- Charles _______________________________________________ Xplor-nih mailing list Xplor-nih@cake.cit.nih.gov http://cake.cit.nih.gov/mailman/listinfo/xplor-nih
