Hello Santhos-- > > Thanks for the information. I have used rdc.setEnsWeights and > rdc.useSimEnsWeight = False and the same for NOE.
If you call setEnsWeights, useSimEnsWeight should be set False. > > Is there any test script or documentation available for the weight > optimization facility? We are working on a similar idea and would like to > know XPLOR's capabilities. Documentation always lags a bit... The ensWeights and ensWeightsTools modules are documented here: http://nmr.cit.nih.gov/xplor-nih/doc/current/python/ref/index.html and examples of its use can be found in these scripts in the Xplor-NIH distribution: python/tests/sardcPotTest3.py python/tests/solnXRayTest6.py Do note that neither the standard RDC nor the NOE terms yet support the weight optimization facility- but it is straightforward to add. A manuscript with implementation details will hopefully be accepted for publication soon, at which point I will forward it to you. best regards-- Charles _______________________________________________ Xplor-nih mailing list Xplor-nih@cake.cit.nih.gov http://cake.cit.nih.gov/mailman/listinfo/xplor-nih
