#!/bin/sh

# Copy PDB files to current directory.
# These will be changed by 4akeA-2eckB.w5_shscript
cd $CCP4_SCR
cp $CEXAM/data/2eck.pdb ./2eck_work.pdb
cp $CEXAM/data/4ake.pdb ./4ake_work.pdb

# Running dyndom
# Control input is contained in separate file adenylate.command
dyndom $CEXAM/data/adenylate.command

# The program produces five files:
# 
# 4akeA-2eckB.w5_arrow      : PDB file for arrow indicating interdomain screw axis
# 4akeA-2eckB.w5_info       : Text file containing details of results
# 4akeA-2eckB.w5_rasscript  : RasMol script file for display with RasMol program
# 4akeA-2eckB.w5_rotvecs    : PDB file for rotation vectors

# To display rotation vectors, enter command:
#4akeA-2eckB.w5_shscript rotvecs