manual.2e.html

来自「最经典的分子对结软件」· HTML 代码 · 共 32 行

HTML

32 行

<!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>

manual.2e.html - 源码说明

本页面展示了「最经典的分子对结软件」中的 manual.2e.html 源码文件，采用 HTML 编程语言编写，共 32 行代码。您可以在线阅读完整代码内容，也可以返回资源详情页下载完整源码包进行本地学习和开发。

虫虫开发者社区收录了大量与分子对接相关的技术资源，包括源代码、技术文档、电路图等，是电子工程师和嵌入式开发者的专业学习平台。

⌨️ 快捷键说明

复制代码Ctrl + C

搜索代码Ctrl + F

全屏模式F11

增大字号Ctrl + =

减小字号Ctrl + -

显示快捷键?