Shell Programming and Scripting

# awk '{if ($x==y)a[$1]++;else a[$1]+=0;}END{for (i in a)print i,a[i]}' x=4 y=Z file
1 2
2 0
#

BEGIN     {     
    r=5; #parameterA
    x=9; #parameterB
    solv2="TFE"; #parameterC
    solv1="TIP3"; #parameterD
               }


/CA 1/ #pattern for row to earch in. in order to skip header of the file

    {if ( ($9*1 < r) && (( $7 ~ solv1 )||($7 ~ solv2)) )    a[$1]++;else a[$1]+=0;} #$9*1 to avoid wrong counting that occured sometimes



END{for (i in a)print i,a[i]}

.
.
.
 90 CA 1 67 18 5744 TFE O1 8.17278
 90 CA 1 67 19 6988 TFE O1 8.51086
 90 CA 1 67 20 7806 TIP3 OH2 4.75067
 90 CA 1 67 21 10479 TIP3 OH2 4.67777
 90 CA 1 67 22 10845 TIP3 OH2 7.16528
 90 CA 1 67 23 11554 TIP3 OH2 4.19535
10 7
11 6
12 7
13 12
14 6
15 6
NAME 0
16 8
30 4

.
.
.

 NAME DWT26R1_CA1_PEP1.DAT
 FRAMES[PS] 5000
 SKIPPED 500
 STEP 50
 PROCESSED 90
 1 CA 1 98 1 2643 TFE F21 9.5831
 1 CA 1 98 2 2654 TFE O1 6.25134
 1 CA 1 98 3 2681 TFE O1 5.01697
 1 CA 1 98 4 2751 TFE O1 6.45506
 1 CA 1 98 15 5702 TFE O1 9.63541
 1 CA 1 98 16 6096 TFE O1 4.69877
 1 CA 1 98 17 6337 TFE O1 6.64662
 1 CA 1 98 18 8167 TIP3 OH2 5.73264 
 2 CA 1 103 18 6096 TFE O1 6.27655
 2 CA 1 103 19 6337 TFE O1 8.68132
 2 CA 1 103 20 8167 TIP3 OH2 3.85201
 2 CA 1 103 21 8178 TIP3 OH2 7.49269
 2 CA 1 103 22 8481 TIP3 OH2 6.79798
 2 CA 1 103 23 8591 TIP3 OH2 3.98057
 2 CA 1 103 24 9917 TIP3 OH2 5.53047
.
.
.

END {for ( i=1; i<100; i++) print i,a[i]}