Kuntz Home / DOCK Home / DOCKumentation Contents / Accessories
prev section prev toc up next next section

invertPDB

Daniel Gschwend

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


prev section prev toc up next next section

Curator: Daniel Gschwend, gschwend@cgl.ucsf.edu (rev. 1 September 1995)