debian man page for autodock4

AUTODOCK(1)						      General Commands Manual						       AUTODOCK(1)

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  tar-
       get 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 redis-
       tributed  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)