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.
College of Pharmacy
Pusan National University
Geumjeong-gu, Jangjeon-dong
Busan 609-735, Korea
No comments:
Post a Comment