Hi everybody, I would like to calculate the expected residual dipolar coupling given the molecular fragment and its corresponding RDC measurements in my program. In connection with that, would you please tell me how to represent the molecular principal axis of the fragment or molecule at hand so that we can calculate the angle between the internuclear vectors and the molecular principal axis?
Hope to hear from you. Thank you in advance. with best regards, Arun Prasad -------------- next part -------------- An HTML attachment was scrubbed... URL: http://dcb.cit.nih.gov/pipermail/xplor-nih/attachments/20070708/d2605629/attachment.html
