NAME

       AutoLigand: - identification of a receptor's ligand binding site

SYNOPSIS

       It  is  suggested  to  start  AutoLigand  through  the GUI that the autodocktools provide.   autoligand r
       FileBaseName -p #_of_pts  The above is a simplification provided for  the  Debian  package.  The  regular
       command   line   invocation   is   through    python  /usr/share/pyshared/AutoDockTools/AutoLigand.py  -r
       FileBaseName -p #_of_pts

DESCRIPTION

       autoligand is a symbolic  link  to  the  Python  script  AutoLigand.py.  That  performs  a  an  automated
       investigation of the likelihood of a particular part of a protein to bind to ligands.

              Description of command...

       -r FileBaseName = just the name part from receptor map files (i.e., FileBaseName.C.map)

       -p #_of_pts = number of fill points to use (int)

              Note: can be omitted if -a option used.

              Optional parameters:

              [-a  #]  =  number of heavy atom for ligand (#_of_pts will be set to 6x atoms)  [-x # -y # -z #] =
              optional x,y,z co-ords for starting fill (float)

              when starting point is input, only one fill will be run

              [-i # -j # -k #] = optional x,y,z co-ords for second point (float)

              when second point is input, the fill will connect both points NOTE: the connection  path  has  not
              been optimized - use with discretion

              [-f  #]  = number of fills to generate - default is 10  [-e] = use the extra atom types NA, N, SA,
              and A

              NOTE: these results can be problematic - use with discretion

              [-m] = make a movie of output fill progress

SEE ALSO

       A               tutorial               is               available                online                on
       http://autodock.scripps.edu/resources/autoligand/AutoLigand_tutorial.pdf

AUTHORS

       Rodney M. Harris and colleagues at The Scripps Institute, San Diego, California