#!/bin/sh
#++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
#  proplot.scr
#  -----------
#  Shell script for running pplot program
#  Roman Laskowski, August 1992
#  sh version from the csh one, Dave Love 5/8/94
#++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
#
set -e
# Check that exactly two parameters have been entered
if test $# -ne 2 -a $# -ne 3; then
  echo ' '
  echo '*** ERROR. Correct usage is:'
  echo ' '
  echo '              proplot  filename  [chain]  resolution'
  echo ' '
  echo ' '
  echo '       where  filename    = the coordinates file in Brookhaven format'
  echo '              [chain]     = an optional one-letter chain-ID'
  echo '              resolution  = a real number giving the resolution'
  echo '                            of the structure'
  echo ' '
  echo 'For example:-'
  echo ' '
  echo '              proplot  /data/pdb/p1amt.pdb  A  1.5'
  echo ' '
	exit 1
fi
echo ' '
echo ' '
echo 'Stereochemical quality plots'
echo '----------------------------'
echo ' '
filename=$1
echo 'Coordinates file:   [' $filename ']'
echo ' '
if test $# -eq 2; then
  chain=' '
  resolution=$2
else
  chain=$2
  resolution=$3
  echo 'Chain:              [' $chain ']'
  echo ' '
fi
echo 'Resolution:          ' $resolution
echo ' '
#-------------#
# T P L O T   #
#-------------#
test ! -f prodata && ln -s $CINCL/procheck.dat prodata
test ! -f procheck.prm && cp $CINCL/procheck.prm .
echo ' ' > tplot.log
echo 'Phi-psi and chi1-chi2 distributions' >> tplot.log
echo '-----------------------------------' >> tplot.log
echo ' ' >> tplot.log
echo ' '
echo 'Phi-psi and chi1-chi2 distributions'
echo ' '
tplot >> tplot.log << EOD
$filename
$chain
$resolution
N
EOD
echo ' '
grep "*" tplot.log || true
echo ' '
echo '..................................................................'
#-------------#
# P P L O T   #
#-------------#
echo ' ' > pplot.log
echo 'Plots and residue-by-residue listing' >> pplot.log
echo '------------------------------------' >> pplot.log
echo ' ' >> pplot.log
echo ' '
echo 'Stereochemical quality plots and residue-by-residue listing'
echo ' '
pplot >> pplot.log << EOD
$filename
$chain
$resolution
EOD
echo ' '
grep "*" pplot.log || true
echo ' '
echo '..................................................................'
#-------------#
# B P L O T   #
#-------------#
echo ' ' > bplot.log
echo 'Main-chain bond-lengths and angles, and planar groups' >> bplot.log
echo '-----------------------------------------------------' >> bplot.log
echo ' ' >> bplot.log
echo ' '
echo 'Main-chain bond-lengths and angles, and planar groups'
echo ' '
probplot >> bplot.log << EOD
$filename
$chain
$resolution
EOD
echo ' '
grep "*" bplot.log || true
echo ' '
echo '..................................................................'
#
# Tidy up at end
# --------------
rm prodata
rm ps.number
#