Raccoon | AutoDock

Raccoon is a graphical interface for preparing AutoDock virtual screenings.

Features

Raccoon automates some of the most common operations performed when preparing a virtual screening:

  • automatic processing of ligand libraries (PDB, MOL2, PDBQT)
  • split multi-structure files (MOL2)
  • generate PDBQT input files
  • multiple receptor conformations
  • flexible residues
  • filter ligands
  • generate configuration files for both AutoGrid and AutoDock.
  • generate scripts for running the virtual screening.

Virtual screenings can be generated for workstations and PBS Linux clusters.

Citation

When using Raccoon, please cite:

Computational protein-ligand docking and virtual drug screening with the AutoDock suite.
Forli S, Huey R, Pique ME, Sanner MF, Goodsell DS, Olson AJ, Nature Protocols, 2016 May, doi:10.1038/nprot.2016.051

Downloads

raccoon-1.0f.tar.gz (1433 downloads)

raccoon-1.0f.zip (1338 downloads)

Raccoon_v1.0_user_manual.pdf (1293 downloads)