SECSTR - Secondary structure assignment --------------------------------------- Secondary structure calculation program - copyright by David Keith Smith, 1989 Amended by R A Laskowski, 1992 Enter filename containing coordinates of structure (for file containing ensemble of NMR structures enter @filename; for set of separate PDB files to be processed, enter %filelist, where filelist contains a list of PDB files to be cleaned up) Processing NMR model 1 third (+) Hbond (N-C) 13 15 energy -0.58 abandoned number of hydrogen bonds is 47 Processing NMR model 2 number of hydrogen bonds is 50 Processing NMR model 3 number of hydrogen bonds is 48 Processing NMR model 4 third (+) Hbond (N-C) 80 75 energy -0.52 abandoned number of hydrogen bonds is 52 Processing NMR model 5 number of hydrogen bonds is 53 Processing NMR model 6 number of hydrogen bonds is 46 Processing NMR model 7 third (+) Hbond (N-C) 16 14 energy -0.54 abandoned number of hydrogen bonds is 55 Processing NMR model 8 third (+) Hbond (N-C) 80 75 energy -0.53 abandoned number of hydrogen bonds is 53 Processing NMR model 9 number of hydrogen bonds is 53 Processing NMR model 10 number of hydrogen bonds is 56 Processing NMR model 11 number of hydrogen bonds is 53 Processing NMR model 12 number of hydrogen bonds is 52 Processing NMR model 13 number of hydrogen bonds is 50 Processing NMR model 14 number of hydrogen bonds is 59 Processing NMR model 15 number of hydrogen bonds is 53 Processing NMR model 16 number of hydrogen bonds is 48 Processing NMR model 17 number of hydrogen bonds is 46 Processing NMR model 18 third (+) Hbond (N-C) 18 14 energy -0.58 abandoned number of hydrogen bonds is 54 Processing NMR model 19 third (+) Hbond (N-C) 18 15 energy -0.58 abandoned number of hydrogen bonds is 51 Processing NMR model 20 number of hydrogen bonds is 54 * NMR ensemble comprises 20 model structures * Program completed