Entering edit mode
9.0 years ago
pradeep.pant25
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10
Hi, I have a file which look like:
MODEL 1
HETATM 1 C1 **** 1 20.018 13.120 4.719 1.00 0.00 C
HETATM 2 C2 **** 1 19.900 14.074 3.617 1.00 0.00 C
HETATM 3 C3 **** 1 20.692 14.030 2.473 1.00 0.00 C
HETATM 4 C4 **** 1 20.531 14.982 1.499 1.00 0.00 C
HETATM 5 N1 **** 1 19.642 15.978 1.552 1.00 0.00 N
HETATM 6 C5 **** 1 18.883 16.003 2.636 1.00 0.00 C
HETATM 7 C6 **** 1 18.965 15.097 3.672 1.00 0.00 C
HETATM 8 H1 **** 1 19.484 13.336 5.557 1.00 0.00 H
HETATM 9 H2 **** 1 21.361 13.287 2.347 1.00 0.00 H
HETATM 10 H3 **** 1 21.122 14.956 0.684 1.00 0.00 H
HETATM 11 H4 **** 1 18.210 16.756 2.695 1.00 0.00 H
HETATM 12 H5 **** 1 18.373 15.227 4.499 1.00 0.00 H
HETATM 13 C1B **** 1 20.761 12.018 4.725 1.00 0.00 C
HETATM 14 C2B **** 1 20.879 11.064 5.828 1.00 0.00 C
HETATM 15 H1B **** 1 21.295 11.802 3.888 1.00 0.00 H
HETATM 16 C3B **** 1 20.087 11.109 6.971 1.00 0.00 C
HETATM 17 C6B **** 1 21.814 10.041 5.772 1.00 0.00 C
HETATM 18 C4B **** 1 20.248 10.157 7.945 1.00 0.00 C
HETATM 19 H2B **** 1 19.418 11.851 7.098 1.00 0.00 H
HETATM 20 C5B **** 1 21.896 9.135 6.809 1.00 0.00 C
HETATM 21 H5B **** 1 22.406 9.911 4.945 1.00 0.00 H
HETATM 22 N1B **** 1 21.137 9.160 7.893 1.00 0.00 N
HETATM 23 H3B **** 1 19.657 10.182 8.761 1.00 0.00 H
HETATM 24 H4B **** 1 22.569 8.382 6.750 1.00 0.00 H
ENDMDL
CONECT 1 2 8 13
CONECT 13 1 14 15
CONECT 2 7 1 3
CONECT 14 13 16 17
CONECT 3 4 2 9
CONECT 16 18 19 14
CONECT 4 5 3 10
CONECT 18 23 22 16
CONECT 6 5 7 11
CONECT 20 22 24 17
CONECT 7 2 6 12
CONECT 17 21 14 20
CONECT 8 1
CONECT 15 13
CONECT 9 3
CONECT 19 16
CONECT 10 4
CONECT 23 18
CONECT 11 6
CONECT 24 20
CONECT 12 7
CONECT 21 17
CONECT 5 4 6
CONECT 22 18 20
MODEL 2
HETATM 1 C1 **** 1 25.738 9.621 -0.914 1.00 0.00 C
HETATM 2 C2 **** 1 24.622 10.176 -0.146 1.00 0.00 C
HETATM 3 C3 **** 1 24.247 9.711 1.110 1.00 0.00 C
HETATM 4 C4 **** 1 23.170 10.273 1.748 1.00 0.00 C
HETATM 5 N1 **** 1 22.431 11.270 1.252 1.00 0.00 N
HETATM 6 C5 **** 1 22.805 11.716 0.063 1.00 0.00 C
HETATM 7 C6 **** 1 23.869 11.220 -0.661 1.00 0.00 C
HETATM 8 H1 **** 1 25.828 9.948 -1.872 1.00 0.00 H
HETATM 9 H2 **** 1 24.778 8.985 1.563 1.00 0.00 H
HETATM 10 H3 **** 1 22.891 9.918 2.648 1.00 0.00 H
HETATM 11 H4 **** 1 22.250 12.465 -0.330 1.00 0.00 H
HETATM 12 H5 **** 1 24.051 11.591 -1.600 1.00 0.00 H
HETATM 13 C1B **** 1 26.622 8.730 -0.477 1.00 0.00 C
HETATM 14 C2B **** 1 27.737 8.176 -1.244 1.00 0.00 C
HETATM 15 H1B **** 1 26.532 8.404 0.481 1.00 0.00 H
HETATM 16 C3B **** 1 28.113 8.641 -2.501 1.00 0.00 C
HETATM 17 C6B **** 1 28.491 7.132 -0.729 1.00 0.00 C
HETATM 18 C4B **** 1 29.189 8.079 -3.138 1.00 0.00 C
HETATM 19 H2B **** 1 27.582 9.367 -2.954 1.00 0.00 H
HETATM 20 C5B **** 1 29.555 6.636 -1.453 1.00 0.00 C
HETATM 21 H5B **** 1 28.308 6.761 0.210 1.00 0.00 H
HETATM 22 N1B **** 1 29.929 7.082 -2.642 1.00 0.00 N
HETATM 23 H3B **** 1 29.469 8.434 -4.038 1.00 0.00 H
HETATM 24 H4B **** 1 30.109 5.886 -1.061 1.00 0.00 H
ENDMDL
CONECT 1 8 2 13
CONECT 13 1 15 14
CONECT 2 7 3 1
CONECT 14 17 13 16
CONECT 3 2 4 9
CONECT 16 18 19 14
CONECT 4 10 3 5
CONECT 18 23 22 16
CONECT 6 7 5 11
CONECT 20 17 24 22
CONECT 7 2 6 12
CONECT 17 20 14 21
CONECT 8 1
CONECT 15 13
CONECT 9 3
CONECT 19 16
CONECT 10 4
CONECT 23 18
CONECT 11 6
CONECT 24 20
CONECT 12 7
CONECT 21 17
CONECT 5 4 6
CONECT 22 18 20
..
There are many MODELS in the above file where each model is having a number in the fifth column i.e. 1 in all the models.
I want this number to be same as the model number is, i.e. Model 1 should have 1 in the fifth column; Model 2 should have 2 in the fifth column; Model 3 should have 3 in the fifth column and so on..
Correcting this numbering issue is taking too much time manually, so I am wondering that if someone can give me a script which will do this job then I will be very thankful.
Thanks and regards,
Pradeep Pant
