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Some potentially useful scripting

To change path.info.n.done to path.info.n:

for file in *done ; do name=`echo $file | sed -e 's/.done//'`; cp $file $name; done

To put the pid back on for path.info files in *tempcopy* directories and save in pi.save:

for file in *tempcopy*; do name=`echo $file | sed -e 's/ \..*//'`;
cp $file/path.info pi.save/path.info.$name ; done

To split an extractedmin file for N atoms into separate files min_ with numerical values starting from 1 in a field of 5:

split –numeric=1 -l N -a 5 extractedmin min_

To rename the files without leading 0 padding in bash (note double quotes):

for fname in min_* ; do

    echo $fname
    newfile="$(echo $fname | sed -e 's/_0*/_/')"
    echo $newfile
    mv $fname $newfile

done