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Top Forums Shell Programming and Scripting Split a file based on a pattern Post 302263633 by Mish_99 on Tuesday 2nd of December 2008 05:52:46 AM
Old 12-02-2008
Split a file based on a pattern

Dear all,

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

MISH
 

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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)
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