#!/bin/sh

set -e

# An example of a protein with 6 chains in the asymmetric unit. The 6 chains
# are arranged into 3 dimers composed of chains A and B, C and F, and D and E. 
# The input PDB file contains the SD atoms of Met residues only, to mimic a 
# search using Se heavy atoms.

# This example will run fine with the default program parameters. The program
# finds 3 2-folds relating A to B (Polar 30.03761 -57.17715 179.9996), 
# C to E (Polar 70.44804 151.8384 179.9996), and D to F (Polar 45.24121 
# 70.64690 179.9996). These are marked as "Loop 2". There are also several
# cases of "Loop 0" where the operator only acts one way, i.e. improper NCS.

professs xyzin $CEXAM/data/1fse_sd_only.pdb <<EOF
END
EOF