Hello Hélène-- > I have a modular protein, and I would like to calculate the tensor for > just the first module, and then apply the calculated tensor for the whole > molecule . Do I have to create two different tensors? I don't know how to > equal them during the calculation course. Is it just a problem of residue > selection in the potList terms?
One way of doing this is to divide your RDCs between to RDCPot objects, let's call them rdc1 and rdc2, where rdc1 contains the set of RDCs used for alignment tensor computation. They should share an alignment tensor object, call it oTensor. You can then use varTensorTools.calcTensor(oTensor,rdc1) to calculate an alignment tensor based only on the terms in rdc1. I'm not sure what your calculation does, but after the call to calcTensor, you can evaluate terms in rdc2. You could also refine only on rdc1, and include rdc2 as a cross-validated term- this would allow the structure and alignment tensor to be determined simultaneously. I hope this help. best regards-- Charles _______________________________________________ Xplor-nih mailing list Xplor-nih@cake.cit.nih.gov http://cake.cit.nih.gov/mailman/listinfo/xplor-nih
