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)