Provided by: autodock_4.2.6-3_amd64 
NAME
autodock - docking of chemical ligands to protein receptors
SYNOPSIS
autodock4 [options]
DESCRIPTION
AutoDock perfoms the automated docking of chemical compounds to proteins, i.e. it predicts how small
molecules, such as substrates or drug candidates, bind to a receptor of known 3D structure.
The AutoDockSuite consists of two main programs of which AutoDock performs the docking of the ligand to a
set of grids describing the target protein and AutoGrid pre-calculates these grids.
OPTIONS
-p parameter_filename
-l log_filename
-o Use old PDBQ format, charge q in columns 55-61
-k Keep original residue numbers
-i Ignore header-checking
-t Parse the PDBQ file to check torsions, then stop.
-c < command_file Command mode, by file
-c | control_program Command mode, by control_program
EXAMPLE
On Debian, the directory /usr/share/doc/autodock offers examples to run. Change to that directory and
unpack (as root) the gzipped map files, then execute AutoDock as shown below:
gunzip *.map.gz
autodock4 -p 1pgp.dpf -l /tmp/1pgp.dlg
The interpretation of results is aided by the AutoDockTools suite. Please also inspect the tutorials
offered online.
SEE ALSO
autogrid(1), runAdt(1). http://autodock.scripps.edu http://autodock.scripps.edu/faqs-help/faq/what-is-the-command-line-to-start-autodock-4
LICENSE
This software is made available under the terms of the GNU Public License version 2 or later. This
implies that this software may be redistributed if the source is made available. It would however help
the future development of the AutoDockSuite if you register yourself at
http://autodock.scripps.edu/downloads.
AUTHOR
The most prominent author of the version 4 of autodock is G. Morris <garrett@scripps.edu>. See the AUTHORS file in /usr/share/doc/autodock for details. This manual page was written by Steffen Moeller <moeller@debian.org>, for the Debian project (but may be used by others and is hopefully adopted by the upstream developers). Juli 23, 2007 AUTODOCK(1)