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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> mol2sph</TITLE></HEAD><BODY BGCOLOR="#ffffff"><H2 CLASS="Heading-3"><A NAME="pgfId=3759"> </A><A NAME="10859"> </A><A NAME="marker=15039"> </A>mol2sph</H2><P CLASS="Body"><A NAME="pgfId=3763"> </A>Author: Andy Good</P><P CLASS="Body"><A NAME="pgfId=3767"> </A>Takes <A HREF="Manual.41.html#19711" CLASS="XRef">SYBYL MOL2 format</A> files and converts them into <A HREF="Manual.20.html#17338" CLASS="XRef">sphgen</A> format files, allowing automatic coloring of the receptor. Currently, N.3 atoms are classed as H-bond donors, O.3 as H-bond acceptors, and S.3 as hydrophobes, but these color setting can be changed to user preferences by simply hacking the file. The charge value can also be used to assign critical clusters, with the critical cluster number equal to the truncated value of the charge.</P><CENTER><P>⌨️ 快捷键说明
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