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<!DOCTYPE HTML PUBLIC "-//W3C//DTD HTML EXPERIMENTAL 970324//EN"><HTML><HEAD><META NAME="GENERATOR" CONTENT="Adobe FrameMaker 5.5/HTML Export Filter"><LINK REL="STYLESHEET" HREF="Manual.css"><TITLE> invertPDB</TITLE></HEAD><BODY BGCOLOR="#ffffff"><H2 CLASS="Heading-3"><A NAME="pgfId=3711"> </A><A NAME="18604"> </A><A NAME="marker=15025"> </A>invertPDB</H2><P CLASS="Body"><A NAME="pgfId=3715"> </A>Author: Daniel Gschwend</P><P CLASS="Body"><A NAME="pgfId=3727"> </A>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 <A HREF="Manual.2c.html#12611" CLASS="XRef">get_near_res</A>, the inverse atoms (i.e. those far away from the ligand) may be selected to generate an exclude.pdb file for use with <A HREF="Manual.33.html#40648" CLASS="XRef">pdb2ms</A> or <A HREF="Manual.23.html#33642" CLASS="XRef">autoMS</A>.</P><P CLASS="Body"><A NAME="pgfId=3729"> </A>Usage: invertPDB larger_PDB_file smaller_PDB_file > inverted_PDB_file</P><CENTER><P>⌨️ 快捷键说明
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