Commit 3da08caf authored by Thomas White's avatar Thomas White
Browse files

scripts/create-mtz: Configure PDB name

parent 554a74fc
......@@ -2,6 +2,8 @@
OUTFILE=`echo $1 | sed -e 's/\.hkl$/.mtz/'`
TMPFILE=`echo $1 | sed -e 's/\.hkl$/.temp.mtz/'`
PDB=../1JB0.pdb
echo " Input: $1"
echo "Output: $OUTFILE"
if [ -e $TMPFILE -o -e $OUTFILE ]; then
......@@ -39,7 +41,7 @@ if [ $? -ne 0 ]; then echo "Failed."; exit; fi
# Get the unit cell contents
echo "Running 'rwcontents'..."
rwcontents XYZIN ../../1JB0.pdb >> out.html << EOF
rwcontents XYZIN $PDB >> out.html << EOF
NHOH 2.3 lowt
EOF
......
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