Grep log file

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The following describes how to convert a relax log file into a relax script.

Grep the log file for commands

First we find which commands relax has performed, and separate into the different fitting models.
We also just make some line space and important points.

Then we replace instances of relax> with empty, and comment out the model line.

Put this into a file: relax_log_to_py.sh

#!/bin/tcsh -f
 
set LOGS=`ls -v -d -1 *.log`
foreach LOG ( ${LOGS} )
set BNAME=`basename $LOG .log`
set OUT="grep_${BNAME}.py"
egrep -wi --color 'relax>| model -' $LOG > $OUT ;
sed -i "s/relax> //" $OUT ;
sed -i 's/^- /\n#- /' $OUT ;
sed -i 's/^minimise(/\nminimise(/' $OUT ;
sed -i 's/^script(/\n#script(/' $OUT ;
sed -i 's/^results.write(/\nresults.write(/' $OUT ;
sed -i 's/^model_selection(/\nmodel_selection(/' $OUT ;
sed -i '0,/spectrum.replicated(/s//\nspectrum.replicated(/' $OUT ;
sed -i '0,/spectrum.read_intensities(/s//\nspectrum.read_intensities(/' $OUT ;
end

Make it executable

chmod +x relax_log_to_py.sh

End then execute it

./relax_log_to_py.sh
# OR
tcsh relax_log_to_py.sh

Then look out for files starting with grep_.

See also

Sed one-liners