Dear Charles and other Xplor users, I'm trying to calculate an ensemble of a two domain protein using PRE data, and there are two problems now.
The first one is how the final R2 value calculated from the contribution of the ensemble members. A similar question has been asked in June 2014. The relative answer is pasted below for convenience: "When using sbmf and fast ensInterconvert, there isn't a straight averaging over pre contribution, but rather averaging over order parameter and distance is done all in one go." But I don't know how the order parameter was derived. And if possible, could you please give a direct function to show the average pre calculation? The second question is how to set different weight for different ensemble member. The default weights for ensemble members seem to be equivalent. The 'ensWeights' module might help, but I don't know the syntax. Could you give me an example script? Thanks a lot in advance. Best Regards, Liu Wei _______________________________________________ Xplor-nih mailing list Xplor-nih@cake.cit.nih.gov http://cake.cit.nih.gov/mailman/listinfo/xplor-nih
