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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> get_near_res</TITLE></HEAD><BODY BGCOLOR="#ffffff"><H2 CLASS="Heading-3"><A NAME="pgfId=3625"> </A><A NAME="12611"> </A><A NAME="marker=14997"> </A>get_near_res</H2><P CLASS="Body"><A NAME="pgfId=3629"> </A>Author: Daniel Gschwend</P><P CLASS="Body"><A NAME="pgfId=3633"> </A>Given a ligand PDB file and a receptor PDB file, performs either of two functions:</P><UL><LI CLASS="Bullet"><A NAME="pgfId=3635"> </A>Writes a PDB file containing all atoms of all residues in the receptor which have their Ca atoms within a specified distance of the ligand. A list file is also written which gives the closest Ca-to-ligand distance for each residue written.</LI><LI CLASS="Bullet"><A NAME="pgfId=3637"> </A>Writes a PDB file containing all atoms of all residues in the receptor which have any atom within a specified distance of the ligand. A list file is also written which gives the closest receptor-ligand distance for each residue written.</LI></UL><P CLASS="Body"><A NAME="pgfId=15642"> </A>The list file output may be converted to an UCSF ms -i file with the <A HREF="Manual.28.html#34566" CLASS="XRef">condense</A> program. This utility can also be used with the <A HREF="Manual.23.html#33642" CLASS="XRef">autoMS</A> program using QCPE ms surfaces: to generate an exclude.pdb file from get_near_res output, see <A HREF="Manual.2f.html#18604" CLASS="XRef">invertPDB</A>.</P><CENTER><P>⌨️ 快捷键说明
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