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 number of hydrogen bonds is 70 Processing NMR model 2 number of hydrogen bonds is 79 Processing NMR model 3 number of hydrogen bonds is 69 Processing NMR model 4 number of hydrogen bonds is 71 Processing NMR model 5 number of hydrogen bonds is 70 Processing NMR model 6 number of hydrogen bonds is 82 Processing NMR model 7 number of hydrogen bonds is 70 Processing NMR model 8 number of hydrogen bonds is 81 Processing NMR model 9 number of hydrogen bonds is 75 Processing NMR model 10 number of hydrogen bonds is 77 Processing NMR model 11 number of hydrogen bonds is 73 Processing NMR model 12 number of hydrogen bonds is 70 Processing NMR model 13 third (+) Hbond (N-C) 85 79 energy -1.34 abandoned number of hydrogen bonds is 72 Processing NMR model 14 number of hydrogen bonds is 72 Processing NMR model 15 third (+) Hbond (N-C) 36 31 energy -0.82 abandoned number of hydrogen bonds is 75 Processing NMR model 16 third (+) Hbond (N-C) 47 44 energy -0.97 abandoned number of hydrogen bonds is 73 Processing NMR model 17 number of hydrogen bonds is 73 Processing NMR model 18 third (+) Hbond (N-C) 24 21 energy -0.55 abandoned number of hydrogen bonds is 66 Processing NMR model 19 number of hydrogen bonds is 69 Processing NMR model 20 number of hydrogen bonds is 71 * NMR ensemble comprises 20 model structures * Program completed