#!/bin/csh -f #Script to convert APROPOS output to pdb format. #Get all ATOM records grep ^ATOM $1 > tmp0 #Print only the columns that matter awk \ '{print ("HETATM",substr($0,8,55))}' \ tmp0 > pockets.pdb #Add END to the end of the PDB file echo END >> pockets.pdb #Clean up rm tmp*