Man Linux: Main Page and Category List

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)