06-11-2009
Thanks for all your suggestions .It works fine for me now
10 More Discussions You Might Find Interesting
1. UNIX for Dummies Questions & Answers
I have an input file which looks like this:
601 a
602 a
603 a
601 b
610 c
615 c
603 d
601 d
612 d
I need the utput to look like this
601 a 602 603
602 a 601 603
603 a 601 602
601 b
610 c 615
615 c 610
603 d 601 612 (1 Reply)
Discussion started by: wahi80
1 Replies
2. Shell Programming and Scripting
i have an variable mydate=2008Nov07
i want o/p as in variable mymonth=11 (i.e nov comes on 11 number month)
i want some command to do this for any month without using any loop.
plz help me (1 Reply)
Discussion started by: RahulJoshi
1 Replies
3. Shell Programming and Scripting
Hi Experts,
Please help me to get the following from script for Unix ENvironment(shell, perl, tr, sed, awk).
INPUT FILE:
20K,ME,592971
20K,YOU,2
20K,HE,1244998
50K,YOU,480110
50K,ME,17
50K,HIS,10
50K,HE,1370391
OUTPUT FILE:
K,ME,YOU,HE,HIS
20K,592971,2,1244998,0... (5 Replies)
Discussion started by: ashis.tewari
5 Replies
4. Shell Programming and Scripting
Hi, I need to edit a file Protein Data Bank (pdb) and then open that file with the program VMD but when I edit the file with awk, it changes pdb format and the VMD program can not read it.
I need to subtract 34 to field 6 ($ 6).
this is a pdb file :
ATOM 918 N GLY B 103 -11.855 8.675... (8 Replies)
Discussion started by: bio_
8 Replies
5. Shell Programming and Scripting
I have a file as below and want to change it using awk
I want to find the entries such as
Iteration No.788
Best Value 0.00408152
Next-Worst Value 0.00522935
Worst Value 0.00523487
and change it to
Iteration No.788
788. Best Value = 0.00408152
788. ... (8 Replies)
Discussion started by: kristinu
8 Replies
6. Shell Programming and Scripting
Hi...
I have an inputfile name as :- abc_test_20120213.dat (date in yyyymmdd format)
I need the output file name as abc_test_13022012.dat (date in ddmmyyyy format)
Please help me on this...
Thanks in advance. (5 Replies)
Discussion started by: gani_85
5 Replies
7. UNIX for Dummies Questions & Answers
Hello, I have a situation where I want to change a line of text in multiple files, but the problem is that I want to change the text to something unique for each file.
For example, let's say I have five files named bob.txt, joe.txt, john.txt, tom.txt, and zach.txt. Each of these files has a... (5 Replies)
Discussion started by: Scatterbrain26
5 Replies
8. Shell Programming and Scripting
I have a CSV file with a date format like this;
11/19/2012 17:37:00,1.372,121.6
11/19/2012 17:38:00,0.743,121.6
Want to change the time stamp to seconds after 1970 so I can get the data in rrdtool. For anyone interested, this is data from a TED5000 unit and is Kwatts and volts.
Needs to... (3 Replies)
Discussion started by: ottsm
3 Replies
9. Shell Programming and Scripting
Hi all,
I have a file that looks like this:
Closest words to: manifesto >>>>
Closest words to: passport >>>>
and I want to reformat this with awk with the following desired result:
manifesto
0.99999999999999978, 'manifesto'
0.72008211381623111, 'communiqu\xe9'... (5 Replies)
Discussion started by: owwow14
5 Replies
10. UNIX for Dummies Questions & Answers
Hello all,
I am tryign to change the format of files (which are many in numbers). They at present are named like this:
SomeProcess_M-130_100_1_3BR.root
SomeProcess_M-130_101_2_3BX.root
SomeProcess_M-130_103_3_3RY.root
SomeProcess_M-130_105_1_3GH.root
SomeProcess_M-130_99_1_3LF.root... (7 Replies)
Discussion started by: emily
7 Replies
PSIZE(1) PDB2PQR Manual PSIZE(1)
NAME
psize - Get dimensions and other information from PQR files
SYNOPSIS
psize [--cfact=value] [--fadd=value] [--space=value] [--gememfac=value] [--gememceil=value] [--ofrac=value] [--redfac=value] {pqrfile}
psize {--help | -h}
DESCRIPTION
psize derives information from PQR files to preprare the models of proteins and chemicals for electrostatics calculations. The tool
calculates dimensions for coarse and fine grids, grid spacings, box size and estimates the memory required to perform an electrostatics
calculation.
The calculation of this information can be influenced by giving constraints to psize as parameters.
OPTIONS
psize accepts the following options:
--help, -h
Print a help message and exit.
--cfact=value
Factor by which to expand the molecule dimensions to get the coarse grid dimensions
--fadd=value
Amount to add to the molecule dimensions to get the fine grid dimensions.
--space=value
Desired fine mesh resolution.
--gememfac=value
Number of bytes per grid point required for sequential MG calculation.
--gememceil=value
Maximum MB allowed for sequential MG calculation. Adjust this to force the script to perform faster calculations (which require more
parallelism).
--ofrac=value
Overlap factor between mesh partitions.
--redfac=value
Maximum factor by which a domain dimension can be reduced during focusing.
SEE ALSO
apbs(1), pdb2pqr(1)
AUTHOR
Manuel Prinz <debian@pinguinkiste.de>
Wrote this manpage for the Debian System.
COPYRIGHT
Copyright (C) 2008 Manuel Prinz
psize 2008-06-04 PSIZE(1)