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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> idtosyb</TITLE></HEAD><BODY BGCOLOR="#ffffff"><H2 CLASS="Heading-3"><A NAME="pgfId=22443"> </A><A NAME="33807"> </A><A NAME="marker=22442"> </A>idtosyb</H2><P CLASS="Body"><A NAME="pgfId=22444"> </A>Author: Elaine Meng</P><P CLASS="Body"><A NAME="pgfId=22447"> </A>This program is designed to be used in combination with sybyl to convert pdb files into <A HREF="Manual.41.html#19711" CLASS="XRef">SYBYL MOL2 format</A> files. Do not use it by itself. The generated mol2 files are incomplete. First run idtosyb on the pdb file, then read the generated mol2 file into sybyl to verify the atom types, add hydrogens, and assign partial charges. sybyl does a less than satisfactory job of assigning atom types and bonds when reading in small molecule pdb files. idtosyb uses bond length data from the Cambridge Structural Database to assign atom types in a far superior fashion, although still not perfect. Hydrogens need not be present in the input, and multiple ligands in the same file are processed if separated by ter cards.</P><P CLASS="Body"><A NAME="pgfId=22452"> </A>Usage: see <A HREF="Manual.34.html#17898" CLASS="XRef">pdb2syb</A>, a front-end to idtosyb.</P><CENTER><P>?? 快捷鍵說明
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