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  1. #1
    Join Date
    Oct 2008
    Posts
    1

    Unanswered: 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

  2. #2
    Join Date
    Jun 2007
    Location
    London
    Posts
    2,527
    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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