NAME

       g_anadock - cluster structures from Autodock runs

       VERSION 4.6.5

SYNOPSIS

       g_anadock  -f  eiwit.pdb -ox cluster.pdb -od edocked.xvg -of efree.xvg -g anadock.log -[no]h -[no]version
       -nice int -xvg enum -[no]free -[no]rms -cutoff real

DESCRIPTION

        g_anadock analyses the results of an Autodock  run  and  clusters  the  structures  together,  based  on
       distance  or  RMSD.  The  docked  energy and free energy estimates are analysed, and for each cluster the
       energy statistics are printed.

       An alternative approach to this is to cluster the structures first using  g_cluster  and  then  sort  the
       clusters on either lowest energy or average energy.

FILES

       -f eiwit.pdb Input
        Protein data bank file

       -ox cluster.pdb Output
        Protein data bank file

       -od edocked.xvg Output
        xvgr/xmgr file

       -of efree.xvg Output
        xvgr/xmgr file

       -g anadock.log Output
        Log file

OTHER OPTIONS

       -[no]hno
        Print help info and quit

       -[no]versionno
        Print version info and quit

       -nice int 0
        Set the nicelevel

       -xvg enum xmgrace
        xvg plot formatting:  xmgrace,  xmgr or  none

       -[no]freeno
        Use Free energy estimate from autodock for sorting the classes

       -[no]rmsyes
        Cluster on RMS or distance

       -cutoff real 0.2
        Maximum RMSD/distance for belonging to the same cluster

SEE ALSO

       gromacs(7)

       More information about GROMACS is available at <http://www.gromacs.org/>.

                                                 Mon 2 Dec 2013                                     g_anadock(1)