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# 8  
Old 11-02-2010
MySQL Clarification and thanks
OK.

Sorry - I was unclear in my intial post.

I meant to remove 2,4,6,8.... and then output this as only file. This essentially cuts the total number of frames by half.

Another option would be to remove frames 3,6,9,12... and then output this as a different file. This essentially cuts the total number of frames by a third.

By the way, I tried the new code you suggested:

Code:
awk -F"\n" -vRS="Frame" -vORS="Frame" 'BEGIN{printf "%s",RS};((NR-1)%2!=0)' infile

and it works perfectly!

Is there a way to modify it to take out every third frame only i.e. frames 3,6,9,12...?
# 9  
Old 11-02-2010
Quote:
is there a way to make it print blocks 1,3,5, 7 and 1,4,7,9 etc..?
You have to tell more about what you want to keep or exclude :
Do you want to keep Frames that are multiple of 3 ( Frame 6 and Frame 9 ) ???
or you want to display Frame 9 but exclude Frame 6 ???
Of course if we use a formula that filter out all multiple of 3 , the Frame 9 will be filtered out ...

Code:
# awk -F"\n" -vRS="Frame" -vORS="Frame" 'BEGIN{printf "%s",RS};((NR-1)%3==1)' infile
Frame 1
Ir 0.4482 -1.2980 -0.2902
H -0.8380 -0.5636 2.1141
...
H -1.0869 -0.4380 2.8141
14
Frame 4
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
14
Frame 7
Ir 0.2799 -1.1423 -0.0744
P 1.5830 -2.0634 1.6851
14
Frame 10
Ir 0.2799 -1.1423 -0.0744
P 1.5830 -2.0634 1.6851
14
#

---------- Post updated at 07:23 PM ---------- Previous update was at 07:20 PM ----------

To have the 3,6,9,12 :

Code:
 awk -F"\n" -vRS="Frame" -vORS="Frame" 'BEGIN{printf "%s",RS};((NR-1)%3==0)' infile


Code:
# awk -F"\n" -vRS="Frame" -vORS="Frame" 'BEGIN{printf "%s",(($0==14)?14:RS)};(NR!=1)&&((NR-1)%3==0)' infile
Frame 3
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
14
Frame 6
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
14
Frame 9
Ir 0.2799 -1.1423 -0.0744
P 1.5830 -2.0634 1.6851
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
#

Last edited by ctsgnb; 11-02-2010 at 03:39 PM..
# 10  
Old 11-02-2010
Quote:
Originally Posted by Scrutinizer
Hi on my system my suggestion prints
m=2: 1,3,5,7 . so 2,4,6,.. are deleted
m=3: 1,2,4,5,7 .. so 3,6,9.... are deleted
etc..
Does it not do that on your system? What platform are you on?
Here is the output from "uname -a":

Linux 2.6.18-194.11.4.e15

---------- Post updated at 02:26 PM ---------- Previous update was at 02:24 PM ----------

I want to remove all the frames that are a multiple of 3.

That is, I want to remove, 3,6,9,12,15,....until the end.

Then I want the output to contain frames 1,2,4,5,7,8,10,11, etc.

Hope that helps.
# 11  
Old 11-02-2010
Quote:
Originally Posted by marcozd
Here is the output from "uname -a":

Linux 2.6.18-194.11.4.e15

---------- Post updated at 02:26 PM ---------- Previous update was at 02:24 PM ----------

I want to remove all the frames that are a multiple of 3.

That is, I want to remove, 3,6,9,12,15,....until the end.

Then I want the output to contain frames 1,2,4,5,7,8,10,11, etc.

Hope that helps.
It does exactly that when I use m=3. This should work on your platform, does it not?
Last edited by Scrutinizer; 11-02-2010 at 03:33 PM..
# 12  
Old 11-02-2010
To filter out the 3,6,9,12,15 ... :
Code:
# awk -F"\n" -vRS="Frame" -vORS="Frame" 'BEGIN{printf "%s",RS};((NR-1)%3!=0)' infile
Frame 1
Ir 0.4482 -1.2980 -0.2902
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
...
H -1.2309 -0.4996 2.7795
14
Frame 4
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
14
Frame 5
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
14
Frame 7
Ir 0.2799 -1.1423 -0.0744
P 1.5830 -2.0634 1.6851
14
Frame 8
Ir 0.2799 -1.1423 -0.0744
P 1.5830 -2.0634 1.6851
14
Frame 10
Ir 0.2799 -1.1423 -0.0744
P 1.5830 -2.0634 1.6851
14
Frame 11
Ir 0.2799 -1.1423 -0.0744
P 1.5830 -2.0634 1.6851
.
.
.
14
#

... to secure the the display of the leading 14
Code:
awk -F"\n" -vRS="Frame" -vORS="Frame" 'BEGIN{printf "%s",14"\n"RS};(NR!=1)&&((NR-1)%3!=0)' infile

Last edited by ctsgnb; 11-02-2010 at 03:52 PM..
# 13  
Old 11-02-2010
A Perl solution follows -

Code:
$
$
$ # show the content of the input data file "f1"
$ cat f1
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 3
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
14
Frame 4
Ir 0.1111 -1.1111 -0.1111
P 1.2222 -2.2222 1.2222
P -1.3333 -0.3333 -1.3333
H -2.4444 0.4444 -1.4444
H -2.5555 -1.5555 -1.5555
H -1.6666 -0.6666 -2.6666
H 2.7777 -2.7777 1.7777
H 0.8888 -3.8888 2.8888
H 1.9999 -1.9999 2.9999
C 1.1010 -0.1010 -1.1010
O 2.1111 -0.1111 -1.1111
Cl 0.1212 -3.1212 -0.1212
H 0.1313 0.1313 0.1313
H -0.1414 -1.1414 0.1414
14
Frame 5
Ir 0.1515 -1.1515 -0.1515
P 1.1616 -2.1616 1.1616
P -1.1717 -0.1717 -1.1717
H -2.1818 0.1818 -1.1818
H -2.1919 -1.1919 -1.1919
H -1.2020 -0.2020 -2.2020
H 2.2121 -2.2121 1.2121
H 0.2222 -3.2222 2.2222
H 1.2323 -1.2323 2.2323
C 1.2424 -0.2424 -1.2424
O 2.2525 -0.2525 -1.2525
Cl 0.2626 -3.2626 -0.2626
H 0.2727 0.2727 0.2727
H -0.2828 -1.2828 0.2828
14
Frame 6
Ir 0.2929 -1.2929 -0.2929
P 1.3030 -2.3030 1.3030
P -1.3131 -0.3131 -1.3131
H -2.3232 0.3232 -1.3232
H -2.3333 -1.3333 -1.3333
H -1.3434 -0.3434 -2.3434
H 2.3535 -2.3535 1.3535
H 0.3636 -3.3636 2.3636
H 1.3737 -1.3737 2.3737
C 1.3838 -0.3838 -1.3838
O 2.3939 -0.3939 -1.3939
Cl 0.4040 -3.4040 -0.4040
H 0.4141 0.4141 0.4141
H -0.4242 -1.4242 0.4242
$
$
$ # show the content of the Perl program "f1.pl"
$
$ cat -n f1.pl
     1  #!perl -w
     2  print "Enter number of atoms: ";
     3  chomp($x = <STDIN>);
     4  print "Enter <n> if every nth frame is to be removed: ";
     5  chomp($y = <STDIN>);
     6  $file = "f1";
     7  open (F, "f1") or die "Can't open $file: $!";
     8  while (<F>) {                                  # iterate through the records
     9    chomp;                                       # chomp newline
    10    if (/^\d+$/) {                               # if the number is here all by itself
    11      $atoms = $_;                               # then it is the number of atoms
    12      $iter = 1;                                 # initialize the iterator
    13      $show = 0;                                 # don't show/print the records just yet
    14    } elsif (/^Frame (\d+)$/ and $1%$y != 0) {   # if the frame number is not a multiple of <n>
    15      print $atoms,"\n";                         # then print the number of atoms
    16      print $_,"\n";                             # and print the current line
    17      $show = 1;                                 # and set the flag so that the block could be printed
    18    } elsif ($show and $iter <= $x) {            # if flag is set and we haven't reached the upper limit
    19      print $_,"\n";                             # then keep printing the record
    20      $iter++;                                   # and incrementing the iterator
    21    }
    22  }
    23  close (F) or die "Can't close $file: $!";      # clean up after ourselves
$
$
$ # test the Perl program
$
$ perl f1.pl
Enter number of atoms: 14
Enter <n> if every nth frame is to be removed: 2
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 3
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
14
Frame 5
Ir 0.1515 -1.1515 -0.1515
P 1.1616 -2.1616 1.1616
P -1.1717 -0.1717 -1.1717
H -2.1818 0.1818 -1.1818
H -2.1919 -1.1919 -1.1919
H -1.2020 -0.2020 -2.2020
H 2.2121 -2.2121 1.2121
H 0.2222 -3.2222 2.2222
H 1.2323 -1.2323 2.2323
C 1.2424 -0.2424 -1.2424
O 2.2525 -0.2525 -1.2525
Cl 0.2626 -3.2626 -0.2626
H 0.2727 0.2727 0.2727
H -0.2828 -1.2828 0.2828
$
$
$ # once more
$
$ perl f1.pl
Enter number of atoms: 14
Enter <n> if every nth frame is to be removed: 3
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 4
Ir 0.1111 -1.1111 -0.1111
P 1.2222 -2.2222 1.2222
P -1.3333 -0.3333 -1.3333
H -2.4444 0.4444 -1.4444
H -2.5555 -1.5555 -1.5555
H -1.6666 -0.6666 -2.6666
H 2.7777 -2.7777 1.7777
H 0.8888 -3.8888 2.8888
H 1.9999 -1.9999 2.9999
C 1.1010 -0.1010 -1.1010
O 2.1111 -0.1111 -1.1111
Cl 0.1212 -3.1212 -0.1212
H 0.1313 0.1313 0.1313
H -0.1414 -1.1414 0.1414
14
Frame 5
Ir 0.1515 -1.1515 -0.1515
P 1.1616 -2.1616 1.1616
P -1.1717 -0.1717 -1.1717
H -2.1818 0.1818 -1.1818
H -2.1919 -1.1919 -1.1919
H -1.2020 -0.2020 -2.2020
H 2.2121 -2.2121 1.2121
H 0.2222 -3.2222 2.2222
H 1.2323 -1.2323 2.2323
C 1.2424 -0.2424 -1.2424
O 2.2525 -0.2525 -1.2525
Cl 0.2626 -3.2626 -0.2626
H 0.2727 0.2727 0.2727
H -0.2828 -1.2828 0.2828
$
$
$

tyler_durden
# 14  
Old 11-02-2010
Quote:
Originally Posted by marcozd
OK.

Sorry - I was unclear in my intial post.

I meant to remove 2,4,6,8.... and then output this as only file. This essentially cuts the total number of frames by half.

Another option would be to remove frames 3,6,9,12... and then output this as a different file. This essentially cuts the total number of frames by a third.

By the way, I tried the new code you suggested:

Code:
awk -F"\n" -vRS="Frame" -vORS="Frame" 'BEGIN{printf "%s",RS};((NR-1)%2!=0)' infile

and it works perfectly!

Is there a way to modify it to take out every third frame only i.e. frames 3,6,9,12...?
sure, replace the %2 with a %3
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