06-22-2011
Of course... The text file looks something like this:
1 ABC |
1 ABC |
1 ABC |
2 SOL |
2 SOL |
2 SOL |
5 ABC |
5 ABC |
5 ABC |
5 ABC |
2 SOL |
2 SOL |
2 SOL |
3 SOL |
3 SOL |
3 SOL |
What I need the script to do is find the first occurrence of SOL in column 2 and count the number of times I consecutively find SOL in column 2 until the number in column 1 changes.
In fact I want to count constant atom numbers for a particular molecule (SOL). So in this particular case the output should be the integer value "3".
The problem is that in this ecample "2 " and "SOL" occurs 6 times within the same line (since there are two blocks of three three lines each). I need to find only the first block of lines and count the atoms.
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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