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qbox
qbox-public
Commits
a8525138
Commit
a8525138
authored
Jan 17, 2022
by
Francois Gygi
Browse files
Fix qbox_reduce.sh, remove dep on get_atomset.sh
parent
44584376
Changes
1
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util/qbox_reduce.sh
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a8525138
#!/bin/bash
# reduce qbox restart file to atomset file
# Reduce a qbox restart file to an atomset file
# The original file is removed
# use: qbox_reduce.sh file.xml [file.xml ..]
for
f
in
${
*
}
do
name
=
${
f
%.xml
}
atomset_name
=
${
name
}
_atomset
echo
$name
.xml
"->"
$atomset_name
.xml
get_atomset
$f
>
$atomset_name
.xml
nlines
=
$(
grep
/atomset
-m
1
-n
$f
|
cut
-f1
-d
: -
)
head
-
$nlines
$f
>
$atomset_name
.xml
echo
"</fpmd:sample>"
>>
$atomset_name
.xml
rm
$f
done
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