Adding (as in arithmetic) to numbers in columns in file, and writing new file with new numbers
Hi again. Sorry for all the questions — I've tried to do all this myself but I'm just not good enough yet, and the help I've received so far from bartus11 has been absolutely invaluable. Hopefully this will be the last bit of file manipulation I need to do.
I have a file which is formatted as follows:
The coordinates there correspond to water molecules. In column 2 (beginning with 1 and ending with 15) I need to add 5294 to all the numbers and write a new file — or modify the original, but I assume this isn't possible — to give 5295 through 5309. In the third column, which has sets of three of the same five numbers (257 — 261) I need to do something similar, and subtract 126 from all of them (giving 131 — 135).
I should mention that the file itself has many thousands more of these lines, so ideally I need something which is acting on all the numbers in the respective columns. I figured awk but what I've tried isn't capable of handling the numbers as numbers, which is where I'm falling down, so I don't know if something like Python would work, but I've not had much luck there either and don't have much experience with the language.
The reason I need to do this is so that the software I'm using will be able to correctly read the coordinates I'm trying to combine.
Once again any help would be greatly appreciated. Many thanks.
Last edited by crunchgargoyle; 04-05-2014 at 03:24 PM..
Reason: Minor clarity edit
In column 2 (beginning with 1 and ending with 15) I need to add 5294 to all the numbers and write a new file. In the third column, which has sets of three of the same five numbers (257 — 261) I need to do something similar, and subtract 126 from all of them (giving 131 — 135).
If you just need what you said, This is it.
If its not, Please elaborate as other posters said with expected output.
Btw, from column3, you mean column 6 right?
The output that clx posted and the corresponding script were exactly what I needed — thank you very much.
The column spacings are indeed important but easy to modify manually in e.g. vi should the need arise; the reason I needed a script for this is because the actual data I need to use the script on contains thousands of lines of coordinates, so it would be totally unrealistic to do that part by hand.
Many thanks again.
Last edited by crunchgargoyle; 04-05-2014 at 05:28 PM..
Reason: Edit: also yes, sorry, I did mean column 6
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File
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