Figure 1.

Tools used in the development of FReDoWS. JAWE2.0-2 is for process design and definition. Shark1.1-2 performs process instantiation and control. FReDoWS interact with several software. The Ptraj module of AMBER6.0 generates PDB files from MD simulations. This is realized with C programs and shell scripts. Swiss-PdbViewer (SPDBV) is used to visualize and manipulate receptor and ligand structures and, finally, AutoDock3.0.5 is a suite of programs to execute automated molecular docking experiments.

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