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_mdmat
g_mdmat(1) GROMACS suite, VERSION 4.5.4-dev-20110404-bc5695c g_mdmat(1)NAME
g_mdmat - calculates residue contact maps
VERSION 4.5.4-dev-20110404-bc5695c
SYNOPSIS
g_mdmat -f traj.xtc -s topol.tpr -n index.ndx -mean dm.xpm -frames dmf.xpm -no num.xvg -[no]h -[no]version -nice int -b time -e time -dt
time -xvg enum -t real -nlevels int
DESCRIPTION
g_mdmat makes distance matrices consisting of the smallest distance between residue pairs. With -frames, these distance matrices can be
stored in order to see differences in tertiary structure as a function of time. If you choose your options unwisely, this may generate a
large output file. By default, only an averaged matrix over the whole trajectory is output. Also a count of the number of different atomic
contacts between residues over the whole trajectory can be made. The output can be processed with xpm2ps to make a PostScript (tm) plot.
FILES -f traj.xtc Input
Trajectory: xtc trr trj gro g96 pdb cpt
-s topol.tpr Input
Structure+mass(db): tpr tpb tpa gro g96 pdb
-n index.ndx Input, Opt.
Index file
-mean dm.xpm Output
X PixMap compatible matrix file
-frames dmf.xpm Output, Opt.
X PixMap compatible matrix file
-no num.xvg Output, Opt.
xvgr/xmgr file
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)
-xvg enum xmgrace
xvg plot formatting: xmgrace, xmgr or none
-t real 1.5
trunc distance
-nlevels int 40
Discretize distance in levels
SEE ALSO gromacs(7)
More information about GROMACS is available at <http://www.gromacs.org/>.
Mon 4 Apr 2011 g_mdmat(1)