[ccp4bb] How to calculate energy?

tions from idealized geometry. Where can I get these information? Just from the peptide pdb file output by CNS, or using another software? And what is idealized geometry? Thanks! Huayue Li, Ph. D College of Pharmacy Pusan National University Geumjeong-gu, Jangjeon-dong Busan 609-735, Korea Tel

[ccp4bb] How to make a geometric and energetic statistics for 20 NMR structures calculated by CNS program?

es 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

[ccp4bb] **Possible spam**How to convert CNS PDB format to the most current version of the PDB format?

Dear all, How to convert CNS pdb format to the most current version of the PDB format? e.g. "HN" (excluding N-term) in CNS output files should be changed to "H" And I don't know why the CNS put the N-terminal PCA in the ATOM catagory. How to change it as HETATM? Thanks! College of Pharma