#!/bin/csh 
#
# if this shell doesnot retain environment variables
# like the path, it maybe necessary to:
# source .login
set deldir=$DELDIR/data
echo ' '
echo '***************************************************'
echo 'sets up a quick run for qdiffxs in DelPhi using'
echo 'default parameters'
echo 'directory containing default files is:'
echo $deldir
echo '***************************************************'
echo ' '
if ($1 == '' ) then
  echo -n ' enter full brookhaven file name (with .pdb)>>'
  set p1=$<
else
  set p1=$1
endif
set name=$p1:r
#
if ( -e $p1 == '0') then
  echo ' cannot find pdb file'
  exit
endif
echo ' '
echo ' setting up file assignements for ' $name
if ( -e fort.13 ) then
   /bin/rm fort*
endif
ln -s $deldir'/default.prm' fort.10
ln -s $deldir'/default.siz' fort.11
ln -s $deldir'/default.crg' fort.12
ln -s $name'.pdb' fort.13
ln -s $name'.phi' fort.14
ln -s $name'.eps' fort.17
ln -s $name'out.pdb' fort.19
echo ' '
echo ' '
echo ' running qdiffxs..'
qdiffxs > $name'.log'
echo ' qdiffxs finished, logfile output is in' $name'.log'
/bin/rm fort*