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autodocktools

GUI to help set up, launch and analyze AutoDock dockings

This package is part of the mgltools set of Python libraries which provide an infrastructure for the analysis of protein structures and their docking of chemical compounds.

AutoDock is a well established package for the automated screening of libraries of formal representation of chemical compounds that putatively bind to a particular protein at hand. This package provides a graphical user interface that is helping with the preparation of the protein for such analyses.

The tool AutoLigand, which may help to constrain the location of the binding pocket for yet undescribed proteins, is accompanying the main executable 'runAdt'.

Homepage:
Package version:1.5.6~rc3~cvs.20120206-1
Architecture:all
Distribution:Debian
Filename:autodocktools_1.5.6~rc3~cvs.20120206-1_all.deb

/usr/share/doc/autodocktools/README.Debian

autodocktools and other modules of MGLtools for Debian
======================================================

This package aims at providing the complete infrastructure for ligand
screening with Debian Linux.  It is part of the MGL (Molecular Graphics
Labs at Scripps) Python tools set for the computational and visual
interaction of protein structures and their ligands.

The Debian community shall
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/usr/share/man/man1/autoligand.1.gz

AUTOLIGAND(1)               User Commands              AUTOLIGAND(1)



NAME
       AutoLigand:  -  identification of a receptor's ligand binding
       site

SYNOPSIS
       It is suggested to start AutoLigand through the GUI that  the
       autodocktools   provide.      autoligand  r  FileBaseName  -p
       #_of_pts  The above is  a  simplification  provided  for  the
       Debian  package.  
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/usr/share/man/man1/runAdt.1.gz

ADT(1)                                                        ADT(1)



NAME
       adt - AutoDockTools, a graphical front-end for AutoDock

SYNOPSIS
       runAdt [options]


DESCRIPTION
       This manual page is an almost literal translation of the out‐
       put provided by runAdt -h command.

OPTIONS
       A summary of options  is  included  below.   For  a  complete
       description, r
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/usr/share/doc/autodocktools/changelog.Debian.gz

autodocktools (1.5.6~rc3~cvs.20120206-1) unstable; urgency=low

  * New upstream version.

 -- Thors
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/usr/share/doc/autodocktools/copyright

This package was debianized by Steffen Moeller <moeller@debian.org> on
Thu, 10 Jul 2008 00:03:24 +02
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