xenial (1) autodock4.1.gz

Provided by: autodock_4.2.6-3_amd64 bug

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)