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)