Hi, all I don't know how to make a geometric and energetic statistics for 20 NMR solution structures calculated by CNS program. How to calculate r.m.s. deviations from idealized geometry; and how to calculate bond, angle, improper, vdw, NOE, cdih, and total energy? The pdb output files by CNS seems not contain these informations. Should I use another software? Thanks. Huayue Li, Ph. D College of Pharmacy Pusan National University Geumjeong-gu, Jangjeon-dong Busan 609-735, Korea Tel: +82-51-510-2185
