A shell script to extract all atoms in a larger pdb file which are not in a smaller pdb file, where the latter is a subset of the former. For example, after acquiring a pdb file of all protein atoms or residues within a specified radius of a known ligand with get_near_res , the inverse atoms (i.e. those far away from the ligand) may be selected to generate an exclude.pdb file for use with pdb2ms or autoMS .
Usage: invertPDB larger_PDB_file smaller_PDB_file > inverted_PDB_file