#!/bin/csh

#wrapper script for making restraint list from felix files

#make 7col files
echo "Making diana format files....\n"
mkf27col -b nnoe.bin -c 1 -p nnoe.xpk -s stereo -v nnoe.vol >! nnoe.rst
mkf27col -b h2o.bin -c 1 -p h2o.xpk -s stereo -v h2o.vol >! h2o.rst
mkf27col -b d2o.bin -c 1 -p d2o.xpk -s stereo -v d2o.vol >! d2o.rst

#put them together then filter them
rm unfilt_rst
cp nnoe.rst unfilt_rst
cat h2o.rst >> unfilt_rst
cat d2o.rst >> unfilt_rst

echo "Running diana_filt\n"
diana_filt unfilt_rst >! filt1.rst

echo "Running onenoe.7col\n"
onenoe.7col filt1.rst >! filt2.rst

echo "Sorting out duplicates\n"
sort filt2.rst >! filt3.rst

echo "Sorted file filt3.rst is ready for deletion of duplicates and ambisort\n";