manual.48.html

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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> chem_match.tbl</TITLE></HEAD><BODY BGCOLOR="#ffffff"><H2 CLASS="Heading-3"><A NAME="pgfId=20215"> </A><A NAME="45665"> </A>chem_match.tbl</H2><P CLASS="Body"><A NAME="pgfId=20052"> </A>This file contains the interaction matrix for which chemical labels can form an interaction in matching.</P><UL><LI CLASS="Body-Bullet"><A NAME="pgfId=20323"> </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=20328"> </A>The table flag indicates the beginning of the interaction table.</LI><LI CLASS="Body-Bullet"><A NAME="pgfId=20324"> </A>Compatible labels are identified with a one, otherwise a zero.</LI></UL><P CLASS="Body"><A NAME="pgfId=22474"> </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=20301"> </A>Table 11. Example of chem_match.tbl</H3><TABLE><TR><TD ROWSPAN="1" COLSPAN="1"><P CLASS="Normal"><A NAME="pgfId=20307"> </A>label   null</P><P CLASS="Normal"><A NAME="pgfId=20308"> </A>label   hydrophobic</P><P CLASS="Normal"><A NAME="pgfId=20309"> </A>label   donor</P><P CLASS="Normal"><A NAME="pgfId=20310"> </A>label   acceptor</P><P CLASS="Normal"><A NAME="pgfId=20311"> </A>label   polar</P><P CLASS="Normal"><A NAME="pgfId=20312"> </A>&nbsp;</P><P CLASS="Normal"><A NAME="pgfId=20313"> </A>table</P><P CLASS="Normal"><A NAME="pgfId=20314"> </A>1</P><P CLASS="Normal"><A NAME="pgfId=20315"> </A>1       1</P><P CLASS="Normal"><A NAME="pgfId=20316"> </A>1       0       1</P><P CLASS="Normal"><A NAME="pgfId=20317"> </A>1       0       0       1</P><P CLASS="Normal"><A NAME="pgfId=20318"> </A>1       0       1       1       1</P><P CLASS="Normal"><A NAME="pgfId=20300"> </A>&nbsp;</P></TD></TR></TABLE><DIV><H6 CLASS="New-Page"><A NAME="pgfId=20390"> </A>&nbsp;</H6></DIV><CENTER><P>

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