manual.32.html
来自「最经典的分子对结软件」· HTML 代码 · 共 22 行
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22 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> oldscore</TITLE></HEAD><BODY BGCOLOR="#ffffff"><H2 CLASS="Heading-3"><A NAME="pgfId=3791"> </A><A NAME="marker=15053"> </A>oldscore</H2><P CLASS="Body"><A NAME="pgfId=3795"> </A>Author: Elaine Meng</P><P CLASS="Body"><A NAME="pgfId=3799"> </A>oldscore is an interactive program that allows scoring of dock output according to the "old," exponential algorithm (as in version 1.1; DesJarlais et al., 1988). The user is interactively asked for the names of the receptor file, the ligand file, and a file for output, plus the values of concut, dmin, and discut. There may be many ligands in the ligand file, as long as each ends with a ter card. Bad contacts are counted. There are slight differences in the scores directly from dock 1.1 and the scores reported by this program, because the coordinates of ligand orientations are rounded to three decimal places when written out.</P><CENTER><P>
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