#!/bin/sh

set -e

#simple example of aligning and generating restraints from a reference structure
prosmart -p1 $CEXAM/rnase/rnase.pdb -p2 $CEXAM/rnase/mr_mod.pdb -o $CCP4_SCR/ProSMART_Output1

#simple example of generating h-bond restraints
prosmart -p1 $CEXAM/toxd/toxd.pdb -h -o $CCP4_SCR/ProSMART_Output2