I have a large file which is composed of 8000 frames, what i would like to do is split the file into 8000 single files names file.pdb.1, file.pdb.2 etc etc
each frame in the large file is seperated by a "ENDMDL" flag so my thinking is to use this flag a a point to split the files up. however im having great dificulty in trying to output each frame to a new file in perl? suggetsions and help will be much appreciated.
example of the large file
Code:
ENDMDL
mpla
mpla ok ok ,pla mpla mpla
mpla
mpla
ENDMDL
mpla2 mpla2 mpla2 mpla2
mpla2 mpla2
mpla2 mpla2
ENDMDL
mpla
mpla ok ok ,pla mpla mpla
mpla
mpla
ENDMDL
mpla2 mpla2 mpla2 mpla2
mpla2 mpla2
mpla2 mpla2
ENDMDL
Hi All,
Can someone please help me write a script for the following requirement in awk, grep, sed or perl.
Buuuu xxx bbb
Kmmmm rrr ssss uuuu
Kwwww zzzz ccc
Roooowwww eeee
Bxxxx jjjj dddd
Kuuuu eeeee nnnn
Rpppp cccc vvvv cccc
Rhhhhhhyyyy tttt
Lhhhh rrrrrssssss
Bffff mmmm iiiii
Ktttt... (5 Replies)
Hello all.
Sorry, I know this question is similar to many others, but I just can seem to put together exactly what I need.
My file is tab delimitted and contains approximately 1 million rows. I would like to send lines 1,4,& 7 to a file. Lines 2, 5, & 8 to a second file. Lines 3, 6, & 9 to... (11 Replies)
Hello, I am using awk to split a file into multiple files using command:
nawk '{
if ( $1 == "<process" )
{
n=split($2, arr, "\"");
file=arr
}
print > file }' processes.xml
<process name="Process1.process">
... (3 Replies)
Hello, I have a large file (2GB) that I would like to split based on pattern and size.
I've used the following command to split the file (token is "HELLO")
awk '/HELLO/{i++}{print > "file"i}' input.txt
and the output is similar to the following (i included filesize in KB):
10 ... (2 Replies)
Hi ,
I have huge files around 400 mb, which has clob data and have diffeent scenarios:
I am trying to pass scenario number as parameter and and get required modified file based on the scenario number and criteria.
Scenario 1:
file name : scenario_1.txt
... (2 Replies)
Hi,
I have a Huge 7 GB file which has around 1 million records, i want to split this file into 4 files to contain around 250k messages each.
Please help me as Split command cannot work here as it might miss tags..
Format of the file is as below
<!--###### ###### START-->... (6 Replies)
Hi
i have requirement like below
M <form_name> sdasadasdMklkM
D ......
D .....
M form_name> sdasadasdMklkM
D ......
D .....
D ......
D .....
M form_name> sdasadasdMklkM
D ......
M form_name> sdasadasdMklkM
i want split file based on line number by finding... (10 Replies)
Hi,
I have a text file (attached the sample). I have also, attached the way the way the files need to be split.
We get this file, that will either have 24 Jurisdictions, or will miss some and retain some.
Like in the attached sample file, there are only Jurisdictions 03,11,14,15, 20 and 30.... (3 Replies)
Hello All,
I have records in a file in a pattern A,B,B,B,B,K,A,B,B,K
Is there any command or simple logic I can pull out records into multiple files based on A record? I want output as
File1: A,B,B,B,B,K
File2: A,B,B,K (9 Replies)
Discussion started by: deal1dealer
9 Replies
LEARN ABOUT DEBIAN
g_filter
g_filter(1) GROMACS suite, VERSION 4.5.4-dev-20110404-bc5695c g_filter(1)NAME
g_filter - frequency filters trajectories, useful for making smooth movies
VERSION 4.5.4-dev-20110404-bc5695c
SYNOPSIS
g_filter -f traj.xtc -s topol.tpr -n index.ndx -ol lowpass.xtc -oh highpass.xtc -[no]h -[no]version -nice int -b time -e time -dt time
-[no]w -nf int -[no]all -[no]nojump -[no]fit
DESCRIPTION
g_filter performs frequency filtering on a trajectory. The filter shape is cos(pi t/A) + 1 from -A to +A, where A is given by the option
-nf times the time step in the input trajectory. This filter reduces fluctuations with period A by 85%, with period 2*A by 50% and with
period 3*A by 17% for low-pass filtering. Both a low-pass and high-pass filtered trajectory can be written.
Option -ol writes a low-pass filtered trajectory. A frame is written every -nf input frames. This ratio of filter length and output
interval ensures a good suppression of aliasing of high-frequency motion, which is useful for making smooth movies. Also averages of prop-
erties which are linear in the coordinates are preserved, since all input frames are weighted equally in the output. When all frames are
needed, use the -all option.
Option -oh writes a high-pass filtered trajectory. The high-pass filtered coordinates are added to the coordinates from the structure
file. When using high-pass filtering use -fit or make sure you use a trajectory that has been fitted on the coordinates in the structure
file.
FILES -f traj.xtc Input
Trajectory: xtc trr trj gro g96 pdb cpt
-s topol.tpr Input, Opt.
Structure+mass(db): tpr tpb tpa gro g96 pdb
-n index.ndx Input, Opt.
Index file
-ol lowpass.xtc Output, Opt.
Trajectory: xtc trr trj gro g96 pdb
-oh highpass.xtc Output, Opt.
Trajectory: xtc trr trj gro g96 pdb
OTHER OPTIONS
-[no]hno
Print help info and quit
-[no]versionno
Print version info and quit
-nice int 19
Set the nicelevel
-b time 0
First frame (ps) to read from trajectory
-e time 0
Last frame (ps) to read from trajectory
-dt time 0
Only use frame when t MOD dt = first time (ps)
-[no]wno
View output .xvg, .xpm, .eps and .pdb files
-nf int 10
Sets the filter length as well as the output interval for low-pass filtering
-[no]allno
Write all low-pass filtered frames
-[no]nojumpyes
Remove jumps of atoms across the box
-[no]fitno
Fit all frames to a reference structure
SEE ALSO gromacs(7)
More information about GROMACS is available at <http://www.gromacs.org/>.
Mon 4 Apr 2011 g_filter(1)