Software developed in the lab. Each tool has an overview, downloads, documentation and, where available, tutorials. The installers and data files are on GitHub, in sannerlab/downloads.
All the tools are distributed under the Sannerlab MIT-like Source-Available License; MSMS is covered by it for non-commercial use only.
Methods
Programs that compute: docking, pocket detection and molecular surfaces.
current: 1.1
AutoDock CrankPep (ADCP)
Docking of linear and cyclic peptides by combining folding and docking.
in ADFRsuite 1.0
AutoDockFR (ADFR)
Protein–ligand docking with explicitly specified receptor flexibility.
current: 2.6.1
MSMS
Computes molecular surfaces. Free for non-commercial use; commercial use needs a license.
User interfaces
Graphical tools for preparing, running and looking at calculations.
unreleased
ADapt
Prepares receptor and ligand PDBQT files for AutoDock from a PDB entry, in a web browser.
in development
WEWoS
Vision’s visual programming in a web browser: connect nodes, see molecules, volumes, images and plots.
in ADFRsuite 1.0
AutoGridFR (AGFR)
Prepares receptors for docking: docking box, binding pockets, affinity maps and target files.
current: 1.5.7
MGLTools
The lab’s molecular graphics and modeling software, including PMV and AutoDockTools.