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Full Discussion: Taking largest (negative) number from column of coordinates and adding positive form to every other
Top Forums Shell Programming and Scripting Taking largest (negative) number from column of coordinates and adding positive form to every other Post 302561889 by Corona688 on Wednesday 5th of October 2011 12:58:38 PM
Old 10-05-2011
That always seems to be the first column of that group in your data, though I presume it's not always so.

But that's why it always becomes zero here:

[code]$ awk '{ MIN=0;
for(N=6; N<=8; N++) if($N < MIN) MIN=$N
for(N=6; N<=8; N++) $N -= MIN }' < data
HETATM 1 C UNK 0 0 33.504 34.109 0.00 0.00 C+0
HETATM 2 C UNK 0 0 33.316 32.133 0.00 0.00 C+0
HETATM 3 C UNK 0 0 31.589 30.717 0.00 0.00 C+0
HETATM 4 C UNK 0 0 31.406 28.736 0.00 0.00 C+0
HETATM 5 C UNK 0 0 29.676 27.329 0.00 0.00 C+0
HETATM 6 C UNK 0 0 29.478 25.34 0.00 0.00 C+0
HETATM 7 C UNK 0 0 27.745 23.945 0.00 0.00 C+0
HETATM 8 C UNK 0 0 27.545 21.957 0.00 0.00 C+0
HETATM 9 C UNK 0 0 25.814 20.563 0.00 0.00 C+0
HETATM 10 C UNK 0 0 25.602 18.572 0.00 0.00 C+0
HETATM 11 C UNK 0 0 23.861 17.196 0.00 0.00 C+0
HETATM 12 C UNK 0 0 23.634 15.2 0.00 0.00 C+0
HETATM 13 C UNK 0 0 21.906 13.789 0.00 0.00 C+0
HETATM 14 C UNK 0 0 21.758 11.82 0.00 0.00 C+0
HETATM 15 C UNK 0 0 20.051 10.34 0.00 0.00 C+0
HETATM 16 C UNK 0 0 19.948 8.395 0.00 0.00 C+0
HETATM 17 O UNK 0 0 18.448 7.194 0.00 0.00 O+0
HETATM 18 P UNK 0 0 17.805 5.177 0.00 0.00 P+0
HETATM 19 O UNK 0 0 16.082 4.405 0.00 0.00 O+0
HETATM 20 O UNK 0 0 19.303 5.032 0.00 0.00 O+0
HETATM 21 O UNK 0 0 17.351 4.065 0.00 0.00 O+0
HETATM 22 H UNK 0 0 19.82 7.866 0.00 0.00 H+0
HETATM 23 H UNK 0 0 21.257 8.578 0.00 0.00 H+0
HETATM 24 H UNK 0 0 18.735 10.148 0.00 0.00 H+0
HETATM 25 H UNK 0 0 20.163 10.855 0.00 0.00 H+0
HETATM 26 H UNK 0 0 23.064 11.989 0.00 0.00 H+0
HETATM 27 H UNK 0 0 21.636 11.282 0.00 0.00 H+0
HETATM 28 H UNK 0 0 22.037 14.337 0.00 0.00 H+0
HETATM 29 H UNK 0 0 20.608 13.629 0.00 0.00 H+0
HETATM 30 H UNK 0 0 24.915 15.331 0.00 0.00 H+0
HETATM 31 H UNK 0 0 23.487 14.623 0.00 0.00 H+0
HETATM 32 H UNK 0 0 24.015 17.783 0.00 0.00 H+0
HETATM 33 H UNK 0 0 22.587 17.076 0.00 0.00 H+0
HETATM 34 H UNK 0 0 26.883 18.7 0.00 0.00 H+0
HETATM 35 H UNK 0 0 25.456 17.993 0.00 0.00 H+0
HETATM 36 H UNK 0 0 24.534 20.435 0.00 0.00 H+0
HETATM 37 H UNK 0 0 25.962 21.143 0.00 0.00 H+0
HETATM 38 H UNK 0 0 28.83 22.093 0.00 0.00 H+0
HETATM 39 H UNK 0 0 27.4 21.385 0.00 0.00 H+0
HETATM 40 H UNK 0 0 27.891 24.522 0.00 0.00 H+0
HETATM 41 H UNK 0 0 26.462 23.814 0.00 0.00 H+0
HETATM 42 H UNK 0 0 30.762 25.474 0.00 0.00 H+0
HETATM 43 H UNK 0 0 29.332 24.766 0.00 0.00 H+0
HETATM 44 H UNK 0 0 29.818 27.897 0.00 0.00 H+0
HETATM 45 H UNK 0 0 28.389 27.189 0.00 0.00 H+0
HETATM 46 H UNK 0 0 31.264 28.168 0.00 0.00 H+0
HETATM 47 H UNK 0 0 32.692 28.876 0.00 0.00 H+0
HETATM 48 H UNK 0 0 30.298 30.572 0.00 0.00 H+0
HETATM 49 H UNK 0 0 31.728 31.281 0.00 0.00 H+0
HETATM 50 H UNK 0 0 34.611 32.285 0.00 0.00 H+0
HETATM 51 H UNK 0 0 33.183 31.578 0.00 0.00 H+0
HETATM 52 H UNK 0 0 34.736 35.051 0.00 0.00 H+0
HETATM 53 H UNK 0 0 32.247 34.011 0.00 0.00 H+0
HETATM 54 H UNK 0 0 33.681 34.721 0.00 0.00 H+0
$[/code] Doesn't do what you want.
Last edited by Corona688; 10-05-2011 at 01:59 PM.. Reason: columns off by one
 

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LEARN ABOUT OSX

colrm

COLRM(1)						    BSD General Commands Manual 						  COLRM(1)

NAME

     colrm -- remove columns from a file

SYNOPSIS

     colrm [start [stop]]

DESCRIPTION

     The colrm utility removes selected columns from the lines of a file.  A column is defined as a single character in a line.  Input is read
     from the standard input.  Output is written to the standard output.

     If only the start column is specified, columns numbered less than the start column will be written.  If both start and stop columns are spec-
     ified, columns numbered less than the start column or greater than the stop column will be written.  Column numbering starts with one, not
     zero.

     Tab characters increment the column count to the next multiple of eight.  Backspace characters decrement the column count by one.

ENVIRONMENT

     The LANG, LC_ALL and LC_CTYPE environment variables affect the execution of colrm as described in environ(7).

EXIT STATUS

     The colrm utility exits 0 on success, and >0 if an error occurs.

SEE ALSO

     awk(1), column(1), cut(1), paste(1)

HISTORY

     The colrm command appeared in 3.0BSD.

BSD
								  August 4, 2004							       BSD
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