Download AutoSite

AutoSite is part of ADFRsuite 1.0, which runs on Linux, macOS and Windows. ADFRsuite contains everything needed to set up docking experiments for small molecules and peptides.

ADFRsuite 1.0 (release candidate 1)

Contents:

  • ADFR 1.2 and associated scripts
  • AGFR 1.2
  • AutoSite 1.0 and 1.1
  • ADCP 1.0 (Linux and macOS only)
  • AutoGrid 4.2
  • prepare_ligand
  • prepare_receptor
Platform Installer How to install
Linux 64-bit installer app chmod a+x ADFRsuite_Linux-x86_64_1.0_install
./ADFRsuite_Linux-x86_64_1.0_install
Linux 64-bit tarball see Installing from a tarball
macOS tarball see Installing from a tarball
Windows installer app double-click the downloaded installer

Installation notes

  • The commercial installation does not install MSMS, the component that computes molecular surfaces. For a commercial MSMS license contact Dr. Michel Sanner. All other tools in the suite work fully in both installations.
  • The default install location is ~/ADFRsuite-1.0. If your home folder is not on a local disk, install to a folder on a local disk for better performance.
  • ADFRsuite ships its own Python interpreter (2.7), installed in the ADFRsuite-1.0 folder. It is isolated from your system Python and does not interfere with it. Start it with ADFRsuite-1.0/bin/pythonsh.

Installing from a tarball

This example uses the macOS tarball; for another tarball change the file and folder names.

# unpack the tar file
tar zxvf ADFRsuite_x86_64Darwin_1.0.tar.gz

# step into the folder created by unpacking
cd ADFRsuite_x86_64Darwin_1.0

# run the installation script
#   -d destinationFolder  where to install ADFRsuite 1.0
#   -c                    how to compile the Python files: 0 for .pyc, 1 for .pyo
./install.sh -d myFolder -c 0
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