Figure 4.

Graphical representation of FReDoWS’ subflow Execute docking that executes the molecular docking simulations. We employ the AutoDock3.0.5 [7] suite of C and AWK programs to execute docking experiments. The C programs are addsol, autotors, autogrid (AGrid) and autodock (ADock) while mkgpf3 and mkdpf3 are the AWK scripts. The final model of this subflow contains eight activities which execute all steps necessary for autodock (ADock) execution and the analyses of its output. See text for details.

Machado et al. BMC Genomics 2011 12(Suppl 4):S6   doi:10.1186/1471-2164-12-S4-S6