Dear all, Just one more thing i want to ask that suppose i have a file like:---
47 8 ALA H H 7.85 0.02 1 48 8 ALA HA H 2.98 0.02 1 49 8 ALA HB H 1.05 0.02 1 50 8 ALA C C 179.39 0.3 1 51 8 ALA CA C 54.67 0.3 1 52 8 ALA CB C 18.85 0.3 1 53 8 ALA N N 123.95 0.3 1 107 15 ALA H H 8.05 0.02 1 108 15 ALA HA H 4.52 0.02 1 now what i want that i will make another file in which first it will write the position of ALA lets say 8 then its name ALA and then the chemical shift value for only three atoms C,CA and CB. Means it will be someting like: 8 ALA C = 179.39 CA = 54.67 CB = 18.85 I tried but its not coming. Thanks, Amrita Kumari Research Fellow IISER Mohali Chandigarh INDIA -- http://mail.python.org/mailman/listinfo/python-list