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Old 10-10-08, 09:59
pooja135 pooja135 is offline
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Join Date: Oct 2008
Posts: 1
New user need help

Hello all,
I have 100s of file which contains 11 coloums and1000s of rows in a specific file format. i want to extract specific information from these files. I have a input file that contain some inital information.
for ex: source file format
ATOM 1 N LEU A 1 58.857 53.302 38.780 1.00 39.14
ATOM 2 CA LEU A 1 60.010 53.960 39.455 1.00 38.73
ATOM 3 C LEU A 1 60.689 52.868 40.267 1.00 35.92
ATOM 4 O LEU A 1 61.284 51.953 39.694 1.00 37.36
ATOM 5 CB LEU A 1 59.503 55.109 40.357 1.00 40.70
ATOM 6 CG LEU A 1 60.416 56.313 40.693 1.00 40.62
ATOM 7 CD1 LEU A 1 61.160 56.138 42.007 1.00 38.04
ATOM 8 CD2 LEU A 1 61.383 56.566 39.538 1.00 43.33
ATOM 9 N ARG A 2 60.561 52.945 41.589 1.00 33.00
ATOM 10 CA ARG A 2 61.114 51.946 42.492 1.00 28.68
ATOM 11 C ARG A 2 60.020 51.495 43.469 1.00 24.82
ATOM 12 O ARG A 2 59.298 52.326 44.021 1.00 23.01
ATOM 13 CB ARG A 2 62.274 52.527 43.320 1.00 29.89
ATOM 14 CG ARG A 2 63.517 52.935 42.519 1.00 32.10
ATOM 15 CD ARG A 2 64.771 52.905 43.378 1.00 32.16
ATOM 16 NE ARG A 2 64.679 53.765 44.556 1.00 35.77
ATOM 17 CZ ARG A 2 65.377 53.576 45.676 1.00 37.35
ATOM 18 NH1 ARG A 2 66.220 52.552 45.778 1.00 38.61
ATOM 19 NH2 ARG A 2 65.246 54.417 46.689 1.00 38.28
ATOM 20 N VAL A 3 59.863 50.188 43.638 1.00 22.71
ATOM 21 CA VAL A 3 58.897 49.664 44.608 1.00 18.76
ATOM 22 C VAL A 3 59.706 48.917 45.683 1.00 17.08
ATOM 23 O VAL A 3 60.458 47.987 45.384 1.00 19.95
ATOM 24 CB VAL A 3 57.845 48.707 43.963 1.00 16.79
ATOM 25 CG1 VAL A 3 56.966 48.075 45.048 1.00 12.80
ATOM 26 CG2 VAL A 3 56.953 49.481 42.985 1.00 15.89
ATOM 27 N GLY A 4 59.594 49.357 46.931 1.00 19.68
ATOM 28 CA GLY A 4 60.319 48.677 48.001 1.00 19.91
ATOM 29 C GLY A 4 59.456 47.689 48.768 1.00 18.46
ATOM 30 O GLY A 4 58.270 47.920 48.966 1.00 18.90
ATOM 31 N PHE A 5 60.057 46.578 49.179 1.00 17.61
ATOM 32 CA PHE A 5 59.346 45.545 49.924 1.00 19.72
ATOM 33 C PHE A 5 59.929 45.344 51.322 1.00 19.72
ATOM 34 O PHE A 5 61.145 45.210 51.488 1.00 19.10
ATOM 35 CB PHE A 5 59.417 44.187 49.181 1.00 18.23
ATOM 36 CG PHE A 5 58.515 44.096 47.987 1.00 20.86
ATOM 37 CD1 PHE A 5 58.872 44.679 46.778 1.00 19.35
ATOM 38 CD2 PHE A 5 57.274 43.473 48.087 1.00 19.46
ATOM 39 CE1 PHE A 5 58.002 44.650 45.682 1.00 21.28
ATOM 40 CE2 PHE A 5 56.398 43.438 46.989 1.00 20.70
ATOM 41 CZ PHE A 5 56.761 44.028 45.790 1.00 19.27
ATOM 42 N ILE A 6 59.068 45.371 52.330 1.00 19.78

input file format:A 52
A 56
A 76

pls help me
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  #2 (permalink)  
Old 10-10-08, 10:38
mike_bike_kite mike_bike_kite is offline
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Join Date: Jun 2007
Location: London
Posts: 2,519
You have not given enough information.

Does the input file of A 52, A 56 and A 76 mean you should just extract all lines for atoms 52, 56 and 76?
If so why not supply the data for these atoms?
What should the output look like?
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