On Jul 15, 11:46 pm, amr...@iisermohali.ac.in wrote: > Dear all, > > Sorry that I am disturbing you all again and again but this is the way I > am trying to solve my problem:--- > > >>> import re > >>> exp = re.compile("CA") > >>> infile = open("file1.txt") > >>> for line in infile: > > ... values = re.split("\s+", line) > ... if exp.search(line): > ... print ("%s %s CA = %s" %(values[2], values[3], values[6])) > ... > with this it is giving the output like:---- > > 8 ALA CA = 54.67 > 15 ALA CA = 52.18 > 21 ALA CA = 54.33 > 23 ALA CA = 55.84 > 33 ALA CA = 55.58 > 38 ALA CA = 54.33 > > which is all right but i want CB and C value also in each row and it > should take value from 5th column infront of them, file is something > lookin 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 > 109 15 ALA HB H 1.29 0.02 1 > 110 15 ALA C C 177.18 0.3 1 > 111 15 ALA CA C 52.18 0.3 1 > 112 15 ALA CB C 20.64 0.3 1 > 113 15 ALA N N 119.31 0.3 1 > 154 21 ALA H H 7.66 0.02 1 > 155 21 ALA HA H 4.05 0.02 1 > 156 21 ALA HB H 1.39 0.02 1 > 157 21 ALA C C 179.35 0.3 1 > 158 21 ALA CA C 54.33 0.3 1 > 159 21 ALA CB C 17.87 0.3 1 > 160 21 ALA N N 123.58 0.3 1 > 169 23 ALA H H 8.78 0.02 1 > 170 23 ALA HA H 4.14 0.02 1 > 171 23 ALA HB H 1.62 0.02 1 > 172 23 ALA C C 179.93 0.3 1 > 173 23 ALA CA C 55.84 0.3 1 > 174 23 ALA CB C 17.55 0.3 1 > 175 23 ALA N N 120.16 0.3 1 > 232 33 ALA H H 7.57 0.02 1 > 233 33 ALA HA H 3.89 0.02 1 > 234 33 ALA HB H 1.78 0.02 1 > 235 33 ALA C C 179.24 0.3 1 > 236 33 ALA CA C 55.58 0.3 1 > 237 33 ALA CB C 19.75 0.3 1 > 238 33 ALA N N 121.52 0.3 1 > 269 38 ALA H H 8.29 0.02 1 > 270 38 ALA HA H 4.04 0.02 1 > 271 38 ALA HB H 1.35 0.02 1 > 272 38 ALA C C 178.95 0.3 1 > 273 38 ALA CA C 54.33 0.3 1 > 274 38 ALA CB C 18.30 0.3 1 > 275 38 ALA N N 120.62 0.3 1 > > I just want that it will give output something like:----- > > 8 ALA C = 179.39 CA = 54.67 CB = 18.85 > 15 ALA C = 177.18 CA = 52.18 CB = 20.64 > 21 ALA C = 179.35 CA = 54.33 CB = 17.87..... > > so first it will write the position of the amino acid(given by second > column)then amino acid here it is ALA and then the corresponding value of > C, CA and CB from 5th colum for each position of ALA. > > Amrita Kumari > Research Fellow > IISER Mohali > Chandigarh > INDIA
Hi, Can you try using the code which I suggested in the earlier thread? If you cannot use it to get the output, just point it out here, and I will try to solve the issue. -- http://mail.python.org/mailman/listinfo/python-list