📄 manual.4a.html
字号:
<!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> chem_screen.tbl</TITLE></HEAD><BODY BGCOLOR="#ffffff"><H2 CLASS="Heading-3"><A NAME="pgfId=19483"> </A><A NAME="23465"> </A>chem_screen.tbl</H2><P CLASS="Body"><A NAME="pgfId=20392"> </A>This file contains the interaction matrix for how to scale the contribution of each chemical key when computing the overall similarity.</P><UL><LI CLASS="Body-Bullet"><A NAME="pgfId=20396"> </A>The labels must be identical to labels in <A HREF="Manual.47.html#97377" CLASS="XRef">chem.defn</A>.</LI><LI CLASS="Body-Bullet"><A NAME="pgfId=20397"> </A>The table flag indicates the beginning of the interaction table.</LI><LI CLASS="Body-Bullet"><A NAME="pgfId=20398"> </A>Each element is a scaling factor.</LI></UL><P CLASS="Body"><A NAME="pgfId=22484"> </A>For an explanation of the definition field, see <A HREF="Manual.45.html#43103" CLASS="XRef">Atom definition rules on page 104</A>.</P><H3 CLASS="Table"><A NAME="pgfId=20414"> </A>Table 13. Example of chem_screen.tbl</H3><TABLE><TR><TD ROWSPAN="1" COLSPAN="1"><P CLASS="Normal"><A NAME="pgfId=20421"> </A>label null</P><P CLASS="Normal"><A NAME="pgfId=20422"> </A>label hydrophobic</P><P CLASS="Normal"><A NAME="pgfId=20423"> </A>label donor</P><P CLASS="Normal"><A NAME="pgfId=20424"> </A>label acceptor</P><P CLASS="Normal"><A NAME="pgfId=20425"> </A>label polar</P><P CLASS="Normal"><A NAME="pgfId=20426"> </A> </P><P CLASS="Normal"><A NAME="pgfId=20427"> </A>table</P><P CLASS="Normal"><A NAME="pgfId=20428"> </A>0</P><P CLASS="Normal"><A NAME="pgfId=20429"> </A>0 1</P><P CLASS="Normal"><A NAME="pgfId=20430"> </A>0 1 1</P><P CLASS="Normal"><A NAME="pgfId=20431"> </A>0 1 1 1</P><P CLASS="Normal"><A NAME="pgfId=20432"> </A>0 1 1 1 1</P><P CLASS="Normal"><A NAME="pgfId=20413"> </A> </P></TD></TR></TABLE><DIV><H6 CLASS="New-Page"><A NAME="pgfId=20415"> </A> </H6></DIV><CENTER><P>⌨️ 快捷键说明
复制代码
Ctrl + C
搜索代码
Ctrl + F
全屏模式
F11
切换主题
Ctrl + Shift + D
显示快捷键
?
增大字号
Ctrl + =
减小字号
Ctrl + -