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.
hi all,
i wrote a script to mail myself using pine (modified) to keep remind of b'days.
#!/bin/bash
grep "`date +%D |awk -F/ '{print $2+1, $1+0}'`" dataFile >/home/username/mailme
if test -s /home/username/mailme
then
pine -I '^X,y' -subject "Birthday Remainder" username... (4 Replies)
hi!
i m tryin to write a program that will perform a specific tasks after fixed interval of time.say every 1 min.
i jus donno how to go abt it.. which functions to use and so on...
i wud like to add that i am dont want to use crontab over here.
ny lead is appreciated.
thanx. (2 Replies)
I want to check process status at regular interval of time ...
so i ha wirtten this BUT its not working when i placed this peace of code in .sh ..
please help me out
#!/bin/sh
w = ps -ef|grep processname | wc - l
echo $w
if ; then
Banner "Proceesname Problem"
else
Banner " Running... (5 Replies)
I have a text file that contains numbers (listed from the smallest to the largest).
For ex.
34
817
1145
1645
1759
1761
3368
3529
4311
4681
5187
5193
5199
5417
5682
.
. (5 Replies)
I need a perl substitution to remove only the comment in the line . That line may have '#' with in double quotes .I used the following ,
s/(^.*\".+?#.+?\".+?)(#.*)/$1/g
It works for ,
print " not a comment # not a comment " . "not a comment # not a comment" ; # It is a comment
... (3 Replies)
I'm having a couple of issues. I'm trying to edit a nagios config and remove a host definition if a certain "host_name" is found. My thought is I would find host definition block containing the host_name I'm looking for and output the line numbers for the first and last lines. Using set, I will... (9 Replies)
Hello,
Although I have found similar questions, I could not find advice that
could help with our problem.
The issue:
We have several hundreds text files containing repeated blocks of text
(I guess back at the time they were prepared like that to optmize
printing).
The block of texts... (13 Replies)
Hi,
I need your expertise in selecting files from a folder.
I have files named with convention: filename.i.j
where j is an interger from 1 to 16, for each i which is an integer from 1 to 2000.
I would like to select the files with i in regular interval of 50 like
filename.1.j,... (2 Replies)
I had a string in perl script as below.
Tue Augáá7 03:54:12 2012
Now I need to replace the special character with space.
After removing the special chaacters
Tue Aug 7 03:54:12 2012
Could anyone please help me here for writing the regular expression?
Thanks in advance..
Regards,
GS (1 Reply)
I need to write a script which can send files via sftp communication continously for half an hour or any given duration of time. I have already written a batch file to send multiple file via SFTP.
but I need to know how can we set a duration of half an hour through shell script. Can we use sleep... (2 Replies)