06-15-2009
Here's how I did it, in case anyone is interested.
for F in `dir *.pqr`
do
filename=`basename $F .pqr`
echo $filename
#coulombic calculations
/scratch/XXXX/APBS/share/tools/manip/coulomb ./$filename.pqr >> ./$filename.coulomb.txt
#polar calculations
./psize.py $filename.pqr >> $filename.psize.txt
./apbs-create.out $filename
apbs $filename.apbs.in | tee $filename.apbs.out
done
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CHGRP(3) 1 CHGRP(3)
chgrp - Changes file group
SYNOPSIS
bool chgrp (string $filename, mixed $group)
DESCRIPTION
Attempts to change the group of the file $filename to $group.
Only the superuser may change the group of a file arbitrarily; other users may change the group of a file to any group of which that user
is a member.
PARAMETERS
o $filename
- Path to the file.
o $group
- A group name or number.
RETURN VALUES
Returns TRUE on success or FALSE on failure.
EXAMPLES
Example #1
Changing a file's group
<?php
$filename = 'shared_file.txt';
$format = "%s's Group ID @ %s: %d
";
printf($format, $filename, date('r'), filegroup($filename));
chgrp($filename, 8);
clearstatcache(); // do not cache filegroup() results
printf($format, $filename, date('r'), filegroup($filename));
?>
NOTES
Note
This function will not work on remote files as the file to be examined must be accessible via the server's filesystem.
Note
When safe mode is enabled, PHP checks whether the files or directories being operated upon have the same UID (owner) as the script
that is being executed.
SEE ALSO
chown(3), chmod(3).
PHP Documentation Group CHGRP(3)