manual.4c.html
来自「最经典的分子对结软件」· HTML 代码 · 共 114 行
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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> flex_drive.tbl</TITLE></HEAD><BODY BGCOLOR="#ffffff"><H2 CLASS="Heading-3"><A NAME="pgfId=19485"> </A><A NAME="25230"> </A>flex_drive.tbl</H2><P CLASS="Body"><A NAME="pgfId=20553"> </A>This file contains torsion positions assigned to each rotatable bond when the <A HREF="Manual.19.html#29408" CLASS="XRef">torsion_drive</A> parameter is used in dock.</P><UL><LI CLASS="Body-Bullet"><A NAME="pgfId=20557"> </A>The drive_id field corresponds to each torsion type.</LI><LI CLASS="Body-Bullet"><A NAME="pgfId=20558"> </A>The positions field specifies the number of torsion angles to sample.</LI><LI CLASS="Body-Bullet"><A NAME="pgfId=20559"> </A>The torsions field specifies the angles that are sampled.</LI></UL><H3 CLASS="Table"><A NAME="pgfId=20583"> </A>Table 15. Selected entries from flex_drive.defn</H3><TABLE><TR><TD ROWSPAN="1" COLSPAN="1"><P CLASS="Normal"><A NAME="pgfId=20587"> </A>drive_id 2</P><P CLASS="Normal"><A NAME="pgfId=20588"> </A>positions 2</P><P CLASS="Normal"><A NAME="pgfId=20589"> </A>torsions 0 180</P><P CLASS="Normal"><A NAME="pgfId=20605"> </A>_________________________________________</P><P CLASS="Normal"><A NAME="pgfId=20591"> </A>drive_id 3</P><P CLASS="Normal"><A NAME="pgfId=20592"> </A>positions 3</P><P CLASS="Normal"><A NAME="pgfId=20593"> </A>torsions -60 60 180</P><P CLASS="Normal"><A NAME="pgfId=20607"> </A>_________________________________________</P><P CLASS="Normal"><A NAME="pgfId=20595"> </A>drive_id 4</P><P CLASS="Normal"><A NAME="pgfId=20596"> </A>positions 4</P><P CLASS="Normal"><A NAME="pgfId=20597"> </A>torsions -90 0 90 180</P><P CLASS="Normal"><A NAME="pgfId=20598"> </A>_________________________________________</P><P CLASS="Normal"><A NAME="pgfId=20599"> </A>drive_id 6</P><P CLASS="Normal"><A NAME="pgfId=20600"> </A>positions 6</P><P CLASS="Normal"><A NAME="pgfId=20601"> </A>torsions -150 -90 -30 30 90 150</P><P CLASS="Normal"><A NAME="pgfId=20582"> </A> </P></TD></TR></TABLE><DIV><H6 CLASS="New-Page"><A NAME="pgfId=5017"> </A> </H6></DIV><CENTER><P>⌨️ 快捷键说明
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