Jochen,
Thank you very much! I will just try it.
Vitaly
JH> Vitaly Chaban wrote:
>> Hello,
>>
>> In gromacs analysis tools, is it possible to output multiple data
>> columns as several 'parallel' columns (not as pairs delimited by '&')?
JH> I don't think so, but i once wrote a script that does the transformation
JH> for you. Here it is.
JH> Best, Jochen
JH> #!/bin/bash
JH> tmpdir=xxxxx.tmp
JH> rm -fr $tmpdir
JH> mkdir $tmpdir
JH> echo Removing comments...
JH> egrep -v '^@|^#' $1 > $tmpdir/xxx.tmp
JH> here=`pwd`
JH> cd $tmpdir
JH> echo "Splitting $1 at &'s ..."
JH> csplit -n 5 --silent xxx.tmp '/&/' '{*}'
JH> grep '[0-9]' xx00000 | awk '{print $1}' > times.tmp
JH> rm -f yy*[0-9]
JH> for i in xx[0-9][0-9][0-9][0-9][0-9]; do
JH> nr=$(echo $i|tr -cd [:digit:])
JH> if grep -q '[0-9]' $i; then
JH> echo writing yy$nr ...
JH> grep '[0-9]' $i | awk '{print $2}' > yy$nr
JH> fi
JH> done
JH> out=${1%%.xvg}.dat
JH> paste -d ' ' times.tmp yy[0-9][0-9][0-9][0-9][0-9] > $out
JH> echo created ${1%%.xvg}.dat
>>
>> I experience difficulties to read such (xvg) format by sigmaplot.
>>
>>
--
Vitaly V. Chaban
School of Chemistry
National University of Kharkiv
Svoboda sq.,4, Kharkiv 61077, Ukraine
email: [EMAIL PROTECTED]
skype: vvchaban
tel.: +38-097-8259698
_______________________________________________
gmx-users mailing list [email protected]
http://www.gromacs.org/mailman/listinfo/gmx-users
Please search the archive at http://www.gromacs.org/search before posting!
Please don't post (un)subscribe requests to the list. Use the
www interface or send it to [EMAIL PROTECTED]
Can't post? Read http://www.gromacs.org/mailing_lists/users.php
