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Top Forums Shell Programming and Scripting Remove a block of Text at regular intervals Post 302468334 by marcozd on Tuesday 2nd of November 2010 11:42:56 AM
Old 11-02-2010
Question Remove a block of Text at regular intervals

Hello all,

I have a text files that consists of blocks of text. Each block of text represents a set of Cartesian coordinates for a molecule. Each block of text starts with a line that has a only a number, which is equal to the total number of atoms in the molecule. After this number is a line with "Frame #" where the # symbol is the number of the frame i.e. 1, 2, 3... This is line are the Cartesian coordinates, one set (x, y, z) per line. There are the same number of Cartesian coordinates as the number of atoms in the molecule.

Here is a sample:

Code:
14
Frame 1
Ir 0.4482 -1.2980 -0.2902
P 1.8759 -2.1654 1.4038
P -1.2305 -0.8418 -1.9134
H -2.5605 -0.7775 -1.4067
H -1.3820 -1.8515 -2.9058
H -1.1987 0.3321 -2.7223
H 2.5359 -3.3920 1.1065
H 1.2161 -2.5072 2.6182
H 2.9669 -1.3899 1.8960
C 1.3685 0.2571 -0.5341
O 1.9671 1.2795 -0.7004
Cl -0.8142 -3.4101 0.0318
H -0.8380 -0.5636 2.1141
H -1.0869 -0.4380 2.8141
14
Frame 2
Ir 0.4490 -1.2978 -0.2903
P 1.8738 -2.1613 1.4076
P -1.2367 -0.8359 -1.9047
H -2.5634 -0.7722 -1.3897
H -1.3955 -1.8409 -2.9008
H -1.2083 0.3415 -2.7087
H 2.5186 -3.3989 1.1226
H 1.2155 -2.4815 2.6289
H 2.9753 -1.3923 1.8863
C 1.3731 0.2542 -0.5394
O 1.9771 1.2723 -0.7122
Cl -0.8091 -3.4129 0.0288
H -0.9491 -0.6267 2.0929
H -1.2309 -0.4996 2.7795
.
.
.
14
Frame 72
Ir 0.2799 -1.1423 -0.0744
P 1.5830 -2.0634 1.6851
P -1.4956 -0.6824 -1.5757
H -2.5240 0.2145 -1.1716
H -2.2321 -1.8577 -1.8841
H -1.2106 -0.1808 -2.8791
H 2.8807 -2.5381 1.3446
H 0.9971 -3.2308 2.2364
H 1.8734 -1.3013 2.8541
C 1.7346 -0.5673 -1.1992
O 2.6174 -0.1436 -1.8621
Cl 0.2051 -3.5805 -0.9057
H 0.1695 0.2982 0.6158
H -0.9713 -1.5095 0.9427

I would like to be able to remove every other frame (which corresponds to a block of text that starts with number of atoms in the molecule, followed by the "Frame #" followed by the coordinates.

The trick is that not every file has the same number of atoms, so the script has to have a variable such that the user can tell it how many atoms are in the coordinates section and then it should remove every other block of data.

So I am trying to remove Frames 2, 4, 6, 8 and so on.

Thus the above sample would become:
Code:
14
Frame 1
Ir 0.4482 -1.2980 -0.2902
P 1.8759 -2.1654 1.4038
P -1.2305 -0.8418 -1.9134
H -2.5605 -0.7775 -1.4067
H -1.3820 -1.8515 -2.9058
H -1.1987 0.3321 -2.7223
H 2.5359 -3.3920 1.1065
H 1.2161 -2.5072 2.6182
H 2.9669 -1.3899 1.8960
C 1.3685 0.2571 -0.5341
O 1.9671 1.2795 -0.7004
Cl -0.8142 -3.4101 0.0318
H -0.8380 -0.5636 2.1141
H -1.0869 -0.4380 2.8141
.
.
.
Frame 71
Ir 0.2798 -1.1422 -0.0743
P 1.5833 -2.0636 1.6848
P -1.4955 -0.6824 -1.5761
H -2.5237 0.2149 -1.1727
H -2.2322 -1.8577 -1.8839
H -1.2099 -0.1819 -2.8797
H 2.8810 -2.5379 1.3438
H 0.9977 -3.2312 2.2359
H 1.8739 -1.3017 2.8539
C 1.7345 -0.5673 -1.1991
O 2.6175 -0.1439 -1.8621
Cl 0.2052 -3.5805 -0.9056
H 0.1693 0.2983 0.6159
H -0.9714 -1.5096 0.9427

Also, if possible, I would like also to be able to remove every 3rd frame as well.

i.e. remove frame 3, 6, 9, 12, 15... and so on.
 

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WRJPGCOM(1)						      General Commands Manual						       WRJPGCOM(1)

NAME
wrjpgcom - insert text comments into a JPEG file SYNOPSIS
wrjpgcom [ -replace ] [ -comment text ] [ -cfile name ] [ filename ] DESCRIPTION
wrjpgcom reads the named JPEG/JFIF file, or the standard input if no file is named, and generates a new JPEG/JFIF file on standard output. A comment block is added to the file. The JPEG standard allows "comment" (COM) blocks to occur within a JPEG file. Although the standard doesn't actually define what COM blocks are for, they are widely used to hold user-supplied text strings. This lets you add annotations, titles, index terms, etc to your JPEG files, and later retrieve them as text. COM blocks do not interfere with the image stored in the JPEG file. The maximum size of a COM block is 64K, but you can have as many of them as you like in one JPEG file. wrjpgcom adds a COM block, containing text you provide, to a JPEG file. Ordinarily, the COM block is added after any existing COM blocks; but you can delete the old COM blocks if you wish. OPTIONS
Switch names may be abbreviated, and are not case sensitive. -replace Delete any existing COM blocks from the file. -comment text Supply text for new COM block on command line. -cfile name Read text for new COM block from named file. If you have only one line of comment text to add, you can provide it on the command line with -comment. The comment text must be sur- rounded with quotes so that it is treated as a single argument. Longer comments can be read from a text file. If you give neither -comment nor -cfile, then wrjpgcom will read the comment text from standard input. (In this case an input image file name MUST be supplied, so that the source JPEG file comes from somewhere else.) You can enter multiple lines, up to 64KB worth. Type an end-of-file indicator (usually control-D) to terminate the comment text entry. wrjpgcom will not add a COM block if the provided comment string is empty. Therefore -replace -comment "" can be used to delete all COM blocks from a file. EXAMPLES
Add a short comment to in.jpg, producing out.jpg: wrjpgcom -c "View of my back yard" in.jpg > out.jpg Attach a long comment previously stored in comment.txt: wrjpgcom in.jpg < comment.txt > out.jpg or equivalently wrjpgcom -cfile comment.txt < in.jpg > out.jpg SEE ALSO
cjpeg(1), djpeg(1), jpegtran(1), rdjpgcom(1) AUTHOR
Independent JPEG Group 15 June 1995 WRJPGCOM(1)
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