autodock - docking of chemical ligands to protein receptors

       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)

       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.

       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.

       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.

       autodock - docking of chemical ligands to protein receptors

-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

autogrid(1), runAdt(1).
       http://autodock.scripps.eduhttp://autodock.scripps.edu/faqs-help/faq/what-is-the-command-line-to-start-autodock-4

autodock4 [options]