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:
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:
Also, if possible, I would like also to be able to remove every 3rd frame as well.
By setting "Frame" as record separator , i must get rid off the leading line "^14$", i must adjust the offset of record, this is why the NR-1 instead of NR
This works exactly as you said, but is there a way to make it print blocks 1,3,5, 7 and 1,4,7,9 etc..?
Quote:
Originally Posted by radoulov
To print the blocks 2, 4, 6 and so on:
To print 3, 6, 9 and so on, set v to 3: ... v=3 infile
---------- Post updated at 01:36 PM ---------- Previous update was at 01:29 PM ----------
Thanks for your reply but this doesn't work.
It seems that this command adds spaces into certain spots of the file at the begining but does remove the correct blocks towards the end. Here is the the first few blocks:
and here are the blocks at the end:
As you can see, it does remove every second block at the end but it also adds in spaces for some reason...
Quote:
Originally Posted by Scrutinizer
Try:
m=2,3,4 etc...
---------- Post updated at 01:39 PM ---------- Previous update was at 01:36 PM ----------
Quote:
Originally Posted by ctsgnb
Thanks for your suggestion. This does remove blocks of text but it seems it is removing 2 or 3 or 4 blocks rather than removing every second block.
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?
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